CAS RN: 21441-07-6
CAS Name: (2-methoxy-3-octadecoxypropyl) (2,3,4,6-tetrahydroxycyclohexyl) hydrogen phosphate
OPENEYE Name: (2-methoxy-3-octadecoxy-propyl) (2,3,4,6-tetrahydroxycyclohexyl) hydrogen phosphate
IUPAC Name: (2-methoxy-3-octadecoxypropyl) (2,3,4,6-tetrahydroxycyclohexyl) hydrogen phosphate
SYSTEMATIC NAME: (2-methoxy-3-octadecoxy-propyl) [2,3,4,6-tetrakis(oxidanyl)cyclohexyl] hydrogen phosphate
MOLECULAR FORMULA: C28H57O10P
MOLECULAR WEIGHT: 584.719941
SMILES: CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(CC(C(C1O)O)O)O)OC
CAS RN: 20259-71-6
CAS Name: 9-(3,4-dihydroxy-5-methoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxole-5,8-dione
OPENEYE Name: 9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxole-5,8-dione
IUPAC Name: 9-(3,4-dihydroxy-5-methoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione
SYSTEMATIC NAME: 9-[3-methoxy-4,5-bis(oxidanyl)phenyl]-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione
MOLECULAR FORMULA: C20H16O8
MOLECULAR WEIGHT: 384.33624
SMILES: COC1=CC(=CC(=C1O)O)C2C3C(COC3=O)C(=O)C4=CC5=C(C=C24)OCO5
CAS RN: 2025-95-8
CAS Name: 5-[2-(diethylamino)ethylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
OPENEYE Name: 5-[2-(diethylamino)ethylamino]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
IUPAC Name: 5-[2-(diethylamino)ethylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
SYSTEMATIC NAME: 5-[2-(diethylamino)ethylamino]-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
MOLECULAR FORMULA: C27H34N2O7
MOLECULAR WEIGHT: 498.56806
SMILES: CCN(CC)CCNC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC
CAS RN: 20259-40-9
CAS Name: 5-(ethylthio)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
OPENEYE Name: 5-ethylsulfanyl-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
IUPAC Name: 5-ethylsulfanyl-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
SYSTEMATIC NAME: 5-ethylsulfanyl-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
MOLECULAR FORMULA: C24H26O7S
MOLECULAR WEIGHT: 458.52404
SMILES: CCSC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)OC)OC
CAS RN: 201224-94-4
CAS Name: (3S,5R,8R,9R,10R,12R,13R,14R)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyl-2-oxanyl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
OPENEYE Name: (3S,5R,8R,9R,10R,12R,13R,14R)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
IUPAC Name: (3S,5R,8R,9R,10R,12R,13R,14R)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
SYSTEMATIC NAME: (3S,5R,8R,9R,10R,12R,13R,14R)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
MOLECULAR FORMULA: C30H52O3
MOLECULAR WEIGHT: 460.73208
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C[C@H]([C@H]4[C@]3(CCC4[C@]5(CCCC(O5)(C)C)C)C)O)C)(C)C)O
CAS RN: 19255-35-7
CAS Name: (2S)-4-[(13R)-13-[5-[(2R,5R)-5-[(1R,5S)-1,5-dihydroxyundecyl]-2-oxolanyl]-2-oxolanyl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
OPENEYE Name: (2S)-4-[(13R)-13-[5-[(2R,5R)-5-[(1R,5S)-1,5-dihydroxyundecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-13-hydroxy-tridecyl]-2-methyl-2H-furan-5-one
IUPAC Name: (2S)-4-[(13R)-13-[5-[(2R,5R)-5-[(1R,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
SYSTEMATIC NAME: (2S)-4-[(13R)-13-[5-[(2R,5R)-5-[(1R,5S)-1,5-bis(oxidanyl)undecyl]oxolan-2-yl]oxolan-2-yl]-13-oxidanyl-tridecyl]-2-methyl-2H-furan-5-one
MOLECULAR FORMULA: C37H66O7
MOLECULAR WEIGHT: 622.91574
SMILES: CCCCCC[C@@H](CCC[C@H]([C@H]1CC[C@@H](O1)C2CCC(O2)[C@@H](CCCCCCCCCCCCC3=C[C@@H](OC3=O)C)O)O)O
CAS RN: 19112-35-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H27ClN2O
MOLECULAR WEIGHT: 370.91558
SMILES: CCC[N+]12CCC34[C@@H]1C[C@@H](/C(=C\C)/C2)C(=C3NC5=CC=CC=C45)C=O.[Cl-]
CAS RN: 19029-66-4
CAS Name: 5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-bis[[3-(4-pyrazolidinyl)phenyl]methyl]-1,3-diazepan-2-one
OPENEYE Name: 4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(3-pyrazolidin-4-ylphenyl)methyl]-1,3-diazepan-2-one
IUPAC Name: 4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(3-pyrazolidin-4-ylphenyl)methyl]-1,3-diazepan-2-one
SYSTEMATIC NAME: 5,6-bis(oxidanyl)-4,7-bis(phenylmethyl)-1,3-bis[(3-pyrazolidin-4-ylphenyl)methyl]-1,3-diazepan-2-one
MOLECULAR FORMULA: C39H46N6O3
MOLECULAR WEIGHT: 646.82094
SMILES: C1C(CNN1)C2=CC(=CC=C2)CN3C(C(C(C(N(C3=O)CC4=CC=CC(=C4)C5CNNC5)CC6=CC=CC=C6)O)O)CC7=CC=CC=C7
CAS RN: 18989-81-6
CAS Name: 1-(1-cyclohexa-1,5-dienylmethyl)-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6-dihydroxy-3-(phenylmethyl)-1,3-diazepan-2-one
OPENEYE Name: 1-benzyl-3-(cyclohexa-1,5-dien-1-ylmethyl)-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
IUPAC Name: 1-benzyl-3-(cyclohexa-1,5-dien-1-ylmethyl)-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
SYSTEMATIC NAME: 1-(cyclohexa-1,5-dien-1-ylmethyl)-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6-bis(oxidanyl)-3-(phenylmethyl)-1,3-diazepan-2-one
MOLECULAR FORMULA: C37H40N2O7
MOLECULAR WEIGHT: 624.7227
SMILES: C1CC=C(C=C1)CN2C(C(C(C(N(C2=O)CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCCO5)O)O)CC6=CC7=C(C=C6)OCCO7
CAS RN: 18885-95-5
CAS Name: 2-[[[22-(2-amino-2-oxoethyl)-25-[(2-amino-1-oxo-3-phenylpropyl)amino]-19-(3-amino-3-oxopropyl)-13-(hydroxymethyl)-7-(2-methylpropyl)-6,9,12,15,18,21,24-heptaoxo-10-(phenylmethyl)-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacos-4-yl]-oxomethyl]amino]-3-(
OPENEYE Name: 2-[[22-(2-amino-2-oxo-ethyl)-19-(3-amino-3-oxo-propyl)-25-[(2-amino-3-phenyl-propanoyl)amino]-10-benzyl-13-(hydroxymethyl)-7-isobutyl-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carbonyl]amino]-3-(4-hydroxyphenyl)pro
IUPAC Name: 2-[[22-(2-amino-2-oxoethyl)-19-(3-amino-3-oxopropyl)-25-[(2-amino-3-phenylpropanoyl)amino]-10-benzyl-13-(hydroxymethyl)-7-(2-methylpropyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carbonyl]amino]-3-(4-hydroxypheny
SYSTEMATIC NAME: 2-[[22-(2-azanyl-2-oxidanylidene-ethyl)-19-(3-azanyl-3-oxidanylidene-propyl)-25-[(2-azanyl-3-phenyl-propanoyl)amino]-13-(hydroxymethyl)-7-(2-methylpropyl)-6,9,12,15,18,21,24-heptakis(oxidanylidene)-10-(phenylmethyl)-1,2-dithia-5,8,11,14,17,20,23-heptazacy
MOLECULAR FORMULA: C53H70N12O15S2
MOLECULAR WEIGHT: 1179.3243
SMILES: CC(C)CC1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CO)CCC(=O)N)CC(=O)N)NC(=O)C(CC3=CC=CC=C3)N)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)O
CAS RN: 1785-16-6
CAS Name: 10-[[3,4-dihydroxy-6-methyl-5-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-2-oxanyl]oxy]-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic aci
OPENEYE Name: 10-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradec
IUPAC Name: 10-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
SYSTEMATIC NAME: 9-(hydroxymethyl)-10-[5-[6-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbox
MOLECULAR FORMULA: C48H78O18
MOLECULAR WEIGHT: 943.12212
SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3CC=C5C4(CCC6(C5CC(CC6)(C)C)C(=O)O)C)C)C)O)O)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O
CAS RN: 16851-10-8
CAS Name: 1-(1-cyclohexa-1,5-dienylmethyl)-4,7-bis(2-ethylbutyl)-5,6-dihydroxy-3-(phenylmethyl)-1,3-diazepan-2-one
OPENEYE Name: 1-benzyl-3-(cyclohexa-1,5-dien-1-ylmethyl)-4,7-bis(2-ethylbutyl)-5,6-dihydroxy-1,3-diazepan-2-one
IUPAC Name: 1-benzyl-3-(cyclohexa-1,5-dien-1-ylmethyl)-4,7-bis(2-ethylbutyl)-5,6-dihydroxy-1,3-diazepan-2-one
SYSTEMATIC NAME: 1-(cyclohexa-1,5-dien-1-ylmethyl)-4,7-bis(2-ethylbutyl)-5,6-bis(oxidanyl)-3-(phenylmethyl)-1,3-diazepan-2-one
MOLECULAR FORMULA: C31H48N2O3
MOLECULAR WEIGHT: 496.72442
SMILES: CCC(CC)CC1C(C(C(N(C(=O)N1CC2=CCCC=C2)CC3=CC=CC=C3)CC(CC)CC)O)O
CAS RN: 16851-09-5
CAS Name: 1-(1-cyclohexa-1,5-dienylmethyl)-5,6-dihydroxy-4,7-bis(2-methylpropyl)-3-(phenylmethyl)-1,3-diazepan-2-one
OPENEYE Name: 1-benzyl-3-(cyclohexa-1,5-dien-1-ylmethyl)-5,6-dihydroxy-4,7-diisobutyl-1,3-diazepan-2-one
IUPAC Name: 1-benzyl-3-(cyclohexa-1,5-dien-1-ylmethyl)-5,6-dihydroxy-4,7-bis(2-methylpropyl)-1,3-diazepan-2-one
SYSTEMATIC NAME: 1-(cyclohexa-1,5-dien-1-ylmethyl)-4,7-bis(2-methylpropyl)-5,6-bis(oxidanyl)-3-(phenylmethyl)-1,3-diazepan-2-one
MOLECULAR FORMULA: C27H40N2O3
MOLECULAR WEIGHT: 440.6181
SMILES: CC(C)CC1C(C(C(N(C(=O)N1CC2=CCCC=C2)CC3=CC=CC=C3)CC(C)C)O)O
CAS RN: 16709-50-5
CAS Name: 30-ethyl-33-(1-hydroxy-2-methylpropyl)-1,4,7,10,12,15,18,19,24,25,28-undecamethyl-6,9-bis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
OPENEYE Name: 30-ethyl-33-(1-hydroxy-2-methyl-propyl)-6,9-diisobutyl-3,21-diisopropyl-1,4,7,10,12,15,18,19,24,25,28-undecamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
IUPAC Name: 30-ethyl-33-(1-hydroxy-2-methylpropyl)-1,4,7,10,12,15,18,19,24,25,28-undecamethyl-6,9-bis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
SYSTEMATIC NAME: 30-ethyl-1,4,7,10,12,15,18,19,24,25,28-undecamethyl-33-(2-methyl-1-oxidanyl-propyl)-6,9-bis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
MOLECULAR FORMULA: C53H95N11O12
MOLECULAR WEIGHT: 1078.3879
SMILES: CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)C)C)C(C)C)C)C)C
CAS RN: 157309-20-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H40N8O9
MOLECULAR WEIGHT: 644.6761
SMILES: C1[C@@H](C(=O)N[C@@H](C(=O)N[C@@H]([C@@H](C2=C(C=CC(=C2)C3=CC1=C(C=C3)O)O)O)C(=O)O)C[C@@H](CNC(=O)[C@H](CCCN=C(N)N)N)O)N
CAS RN: 154331-04-1
CAS Name: (6R,7S)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-2-oxaspiro[2.5]octan-6-amine
OPENEYE Name: (6R,7S)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-amine
IUPAC Name: (6R,7S)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-amine
SYSTEMATIC NAME: (6R,7S)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-amine
MOLECULAR FORMULA: C16H27NO3
MOLECULAR WEIGHT: 281.39048
SMILES: CC(=CC[C@@H]1[C@@](O1)(C)C2[C@@H]([C@@H](CCC23CO3)N)OC)C
CAS RN: 152842-64-3
CAS Name: 3-methoxy-11a-methyl-9-(2-naphthalenylmethoxy)-6,6a-dihydrobenzofuro[3,2-c][1]benzopyran-8-ol
OPENEYE Name: 3-methoxy-11a-methyl-9-(2-naphthylmethoxy)-6,6a-dihydrobenzofuro[3,2-c]chromen-8-ol
IUPAC Name: 3-methoxy-11a-methyl-9-(naphthalen-2-ylmethoxy)-6,6a-dihydro-[1]benzofuro[3,2-c]chromen-8-ol
SYSTEMATIC NAME: 3-methoxy-11a-methyl-9-(naphthalen-2-ylmethoxy)-6,6a-dihydro-[1]benzofuro[3,2-c]chromen-8-ol
MOLECULAR FORMULA: C28H24O5
MOLECULAR WEIGHT: 440.48716
SMILES: CC12C(COC3=C1C=CC(=C3)OC)C4=CC(=C(C=C4O2)OCC5=CC6=CC=CC=C6C=C5)O
CAS RN: 1528-42-3
CAS Name: 3-methoxy-11a-methyl-9-(1-naphthalenylmethoxy)-6,6a-dihydrobenzofuro[3,2-c][1]benzopyran-8-ol
OPENEYE Name: 3-methoxy-11a-methyl-9-(1-naphthylmethoxy)-6,6a-dihydrobenzofuro[3,2-c]chromen-8-ol
IUPAC Name: 3-methoxy-11a-methyl-9-(naphthalen-1-ylmethoxy)-6,6a-dihydro-[1]benzofuro[3,2-c]chromen-8-ol
SYSTEMATIC NAME: 3-methoxy-11a-methyl-9-(naphthalen-1-ylmethoxy)-6,6a-dihydro-[1]benzofuro[3,2-c]chromen-8-ol
MOLECULAR FORMULA: C28H24O5
MOLECULAR WEIGHT: 440.48716
SMILES: CC12C(COC3=C1C=CC(=C3)OC)C4=CC(=C(C=C4O2)OCC5=CC=CC6=CC=CC=C65)O
CAS RN: 152020-08-1
CAS Name: (2R,3S)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,4,5,6,7,8,9,10,11,14,15,16,17,18,19,20,21,22,23,24-eicosahydroporphyrin-2,3-diol
OPENEYE Name: (2R,3S)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,4,5,6,7,8,9,10,11,14,15,16,17,18,19,20,21,22,23,24-icosahydroporphyrin-2,3-diol
IUPAC Name: (2R,3S)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,4,5,6,7,8,9,10,11,14,15,16,17,18,19,20,21,22,23,24-icosahydroporphyrin-2,3-diol
SYSTEMATIC NAME: (2R,3S)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,4,5,6,7,8,9,10,11,14,15,16,17,18,19,20,21,22,23,24-icosahydroporphyrin-2,3-diol
MOLECULAR FORMULA: C32H58N4O2
MOLECULAR WEIGHT: 530.82852
SMILES: CCC1C(C2CC3[C@@]([C@@](C(N3)CC4C(C(C(N4)CC5C(=C(C(N5)CC1N2)C)CC)C)CC)(C)O)(CC)O)C
CAS RN: 14756-03-7
CAS Name: carbamic acid [(3aS,4R)-2,6-diamino-10,10-dihydroxy-9,9-disulfooxy-1,3a,4,8-tetrahydropyrrolo[1,2-c]purin-4-yl]methyl ester
OPENEYE Name: [(3aS,4R)-2,6-diamino-10,10-dihydroxy-9,9-disulfooxy-1,3a,4,8-tetrahydropyrrolo[1,2-c]purin-4-yl]methyl carbamate
IUPAC Name: [(3aS,4R)-2,6-diamino-10,10-dihydroxy-9,9-disulfooxy-1,3a,4,8-tetrahydropyrrolo[1,2-c]purin-4-yl]methyl carbamate
SYSTEMATIC NAME: [(3aS,4R)-2,6-bis(azanyl)-10,10-bis(oxidanyl)-9,9-disulfooxy-1,3a,4,8-tetrahydropyrrolo[1,2-c]purin-4-yl]methyl carbamate
MOLECULAR FORMULA: C10H17N7O12S2
MOLECULAR WEIGHT: 491.41168
SMILES: C1C(C(C23N1C(=N[C@H]([C@@H]2N=C(N3)N)COC(=O)N)N)(O)O)(OS(=O)(=O)O)OS(=O)(=O)O
CAS RN: 14486-58-9
CAS Name: (3S,5R)-5-[(11R)-11-hydroxy-11-[5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]-2-oxolanyl]-2-oxolanyl]undecyl]-3-(2-oxopropyl)-2-oxolanone
OPENEYE Name: (3S,5R)-3-acetonyl-5-[(11R)-11-hydroxy-11-[5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]undecyl]tetrahydrofuran-2-one
IUPAC Name: (3S,5R)-5-[(11R)-11-hydroxy-11-[5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
SYSTEMATIC NAME: (3S,5R)-3-(2-oxidanylidenepropyl)-5-[(11R)-11-oxidanyl-11-[5-[(2R,5R)-5-[(1S)-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]oxolan-2-one
MOLECULAR FORMULA: C37H66O7
MOLECULAR WEIGHT: 622.91574
SMILES: CCCCCCCCCC[C@@H]([C@H]1CC[C@@H](O1)C2CCC(O2)[C@@H](CCCCCCCCCC[C@@H]3C[C@H](C(=O)O3)CC(=O)C)O)O
CAS RN: 14074-91-0
CAS Name: (8R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol
OPENEYE Name: (8R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol
IUPAC Name: (8R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol
SYSTEMATIC NAME: (8R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol
MOLECULAR FORMULA: C20H19NO6
MOLECULAR WEIGHT: 369.36796
SMILES: CN1CCC2=CC3=C(C=C2[C@H]1C4C5=C([C@@H](O4)O)C6=C(C=C5)OCO6)OCO3
CAS RN: 14072-67-4
CAS Name: (8S)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol
OPENEYE Name: (8S)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol
IUPAC Name: (8S)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol
SYSTEMATIC NAME: (8S)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol
MOLECULAR FORMULA: C20H19NO6
MOLECULAR WEIGHT: 369.36796
SMILES: CN1CCC2=CC3=C(C=C2[C@H]1C4C5=C([C@H](O4)O)C6=C(C=C5)OCO6)OCO3
CAS RN: 13871-68-6
CAS Name: 4-(4-fluoroanilino)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f]isobenzofuran-1-one
OPENEYE Name: 4-(4-fluoroanilino)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f]isobenzofuran-1-one
IUPAC Name: 4-(4-fluoroanilino)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
SYSTEMATIC NAME: 4-[(4-fluorophenyl)amino]-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
MOLECULAR FORMULA: C29H30FNO7
MOLECULAR WEIGHT: 523.549403
SMILES: COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC(=C(C=C24)OC)OC)NC5=CC=C(C=C5)F
CAS RN: 13871-66-4
CAS Name: 4-(4-fluoroanilino)-6,7-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f]isobenzofuran-1-one
OPENEYE Name: 4-(4-fluoroanilino)-6,7-dihydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f]isobenzofuran-1-one
IUPAC Name: 4-(4-fluoroanilino)-6,7-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
SYSTEMATIC NAME: 9-(3,5-dimethoxy-4-oxidanyl-phenyl)-4-[(4-fluorophenyl)amino]-6,7-bis(oxidanyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
MOLECULAR FORMULA: C26H24FNO7
MOLECULAR WEIGHT: 481.469663
SMILES: COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC(=C(C=C24)O)O)NC5=CC=C(C=C5)F
CAS RN: 135292-59-0
CAS Name: 4-[(2-acetamido-1-oxopropyl)amino]-5-[[1-[[1-[[1-[[1-[(1-amino-3-carboxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-ox
OPENEYE Name: 4-(2-acetamidopropanoylamino)-5-[[1-[[2-[[2-[[1-[[2-amino-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-5-oxo-pent
IUPAC Name: 4-(2-acetamidopropanoylamino)-5-[[1-[[1-[[1-[[1-[(1-amino-3-carboxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopent
SYSTEMATIC NAME: 4-(2-acetamidopropanoylamino)-5-[[1-[[1-[[1-[[1-[[1-azanyl-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-
MOLECULAR FORMULA: C40H54N8O16
MOLECULAR WEIGHT: 902.90076
SMILES: CC(C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C)O
CAS RN: 129117-49-3
CAS Name: 4-[[2-[[[1-[2-[[2-[[[1-[2-[[2-[[2-[[2-[(2-acetamido-1-oxopropyl)amino]-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-4-amino-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxo
OPENEYE Name: 4-[[2-[[1-[2-[[2-[[1-[2-[[2-[[2-[[2-(2-acetamidopropanoylamino)-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-
IUPAC Name: 4-[[2-[[1-[2-[[2-[[1-[2-[[2-[[2-[[2-(2-acetamidopropanoylamino)-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbon
SYSTEMATIC NAME: 4-[[2-[[1-[2-[[2-[[1-[2-[[2-[[2-[[2-(2-acetamidopropanoylamino)-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]
MOLECULAR FORMULA: C58H91N13O17
MOLECULAR WEIGHT: 1242.42004
SMILES: CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C
CAS RN: 128851-36-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H17N3O7
MOLECULAR WEIGHT: 303.26858
SMILES: C[C@@]1([C@@H]2[C@@H]3[C@@H](N=C(N[C@]34[C@@H]([C@](O2)(O[C@H]1C4O)O)O)N)O)O
CAS RN: 124608-36-2
CAS Name: hydron; samarium(3+); N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
OPENEYE Name: hydron; samarium(3+); N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
IUPAC Name: hydron; samarium(3+); N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
SYSTEMATIC NAME: hydron; samarium(3+); N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
MOLECULAR FORMULA: C6H17N2O12P4Sm
MOLECULAR WEIGHT: 583.460424
SMILES: [H+].[H+].[H+].[H+].[H+].C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Sm+3]
CAS RN: 12037-72-8
CAS Name: (3S,8S,9R,10R,13R,14S)-4,4,9,13,14-pentamethyl-17-[(2S,5S)-2-methyl-5-[2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propan-2-yl]-2-oxolanyl]-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,2,3,7,8,10,12,15,1
OPENEYE Name: (3S,8S,9R,10R,13R,14S)-4,4,9,13,14-pentamethyl-17-[(2S,5S)-2-methyl-5-[1-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]tetrahydrofuran-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyra
IUPAC Name: (3S,8S,9R,10R,13R,14S)-4,4,9,13,14-pentamethyl-17-[(2S,5S)-2-methyl-5-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxolan-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17
SYSTEMATIC NAME: (3S,8S,9R,10R,13R,14S)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-17-[(2S,5S)-5-[2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxypropan-2-yl]-2-methyl-oxolan-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12
MOLECULAR FORMULA: C42H68O14
MOLECULAR WEIGHT: 796.98092
SMILES: C[C@@]12CCC([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)[C@@]6(CC[C@H](O6)C(C)(C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C
CAS RN: 12037-63-7
CAS Name: (3S,8S,9R,10R,13R,14S)-4,4,9,13,14-pentamethyl-17-[(2S,5S)-2-methyl-5-[2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propan-2-yl]-2-oxolanyl]-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,2,3,7,8,10,12,15,1
OPENEYE Name: (3S,8S,9R,10R,13R,14S)-4,4,9,13,14-pentamethyl-17-[(2S,5S)-2-methyl-5-[1-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]tetrahydrofuran-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyra
IUPAC Name: (3S,8S,9R,10R,13R,14S)-4,4,9,13,14-pentamethyl-17-[(2S,5S)-2-methyl-5-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxolan-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17
SYSTEMATIC NAME: (3S,8S,9R,10R,13R,14S)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-17-[(2S,5S)-5-[2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxypropan-2-yl]-2-methyl-oxolan-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12
MOLECULAR FORMULA: C42H68O14
MOLECULAR WEIGHT: 796.98092
SMILES: C[C@@]12CCC([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)[C@@]6(CC[C@H](O6)C(C)(C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C
CAS RN: 1201-42-9
CAS Name: (5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(2R)-2-nitrocyclopropyl]-1,3-dioxolane
OPENEYE Name: (5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(2R)-2-nitrocyclopropyl]-1,3-dioxolane
IUPAC Name: (5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(2R)-2-nitrocyclopropyl]-1,3-dioxolane
SYSTEMATIC NAME: (5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(2R)-2-nitrocyclopropyl]-1,3-dioxolane
MOLECULAR FORMULA: C13H21NO6
MOLECULAR WEIGHT: 287.30894
SMILES: CC1(OC[C@@H](O1)C2[C@H](OC(O2)(C)C)C3C[C@H]3[N+](=O)[O-])C
CAS RN: 119290-87-8
CAS Name: (2S,3R,4S)-3-hydroxy-4-[(3S,5R,7S,8R,9S)-7-hydroxy-3-[(2R,5S)-5-[(2R,3S)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-oxanyl]-3-methyl-2-oxolanyl]-5-methyl-2-oxolanyl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2-methylpentanoic acid
OPENEYE Name: (2S,3R,4S)-3-hydroxy-4-[(3S,5R,7S,8R,9S)-7-hydroxy-3-[(2R,5S)-5-[(2R,3S)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9
IUPAC Name: (2S,3R,4S)-3-hydroxy-4-[(3S,5R,7S,8R,9S)-7-hydroxy-3-[(2R,5S)-5-[(2R,3S)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2-methylpentanoic acid
SYSTEMATIC NAME: (2S,3R,4S)-4-[(3S,5R,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S)-5-[(2S,3S,5R,6R)-6-(hydroxymethyl)-3,5-dimethyl-6-oxidanyl-oxan-2-yl]-3-methyl-oxolan-2-yl]-5-methyl-oxolan-2-yl]-3,8-dimethyl-7-oxidanyl-4,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-oxidanyl-pentanoic ac
MOLECULAR FORMULA: C34H58O11
MOLECULAR WEIGHT: 642.81772
SMILES: C[C@H]1C[C@H]([C@@](O[C@@H]1C2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)[C@H]([C@H](C)C(=O)O)O)C)O)C)C)C)(CO)O)C
CAS RN: 119005-24-2
CAS Name: 10-hydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
OPENEYE Name: 10-hydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
IUPAC Name: 10-hydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
SYSTEMATIC NAME: 9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
MOLECULAR FORMULA: C30H48O5
MOLECULAR WEIGHT: 488.69912
SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(CO)CO)O)C)C)C2C1)C)C(=O)O)C
CAS RN: 1162-56-7
CAS Name: (1R,4S)-4-[(4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyl-2-oxanyl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-2-oxolanyl]pentane-1,4-diol
OPENEYE Name: (1R,4S)-4-[(4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyl-tetrahydropyran-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]pentane-1,4-diol
IUPAC Name: (1R,4S)-4-[(4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,4-diol
SYSTEMATIC NAME: (1R,4S)-4-[(4aS,6R,8aR)-2-[(2S,5R)-5-bromanyl-2,6,6-trimethyl-oxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2S,5R)-2-methyl-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]pentane-1,4-diol
MOLECULAR FORMULA: C30H53BrO7
MOLECULAR WEIGHT: 605.64162
SMILES: C[C@]12CCC(O[C@@H]1CC[C@@H](O2)[C@](C)(CC[C@H]([C@@]3(CC[C@@H](O3)C(C)(C)O)C)O)O)[C@@]4(CC[C@H](C(O4)(C)C)Br)C
CAS RN: 114720-29-5
CAS Name: 2-[2-(5-phenyl-3-pyrazolidinyl)phenyl]acetic acid
OPENEYE Name: 2-[2-(5-phenylpyrazolidin-3-yl)phenyl]acetic acid
IUPAC Name: 2-[2-(5-phenylpyrazolidin-3-yl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-(5-phenylpyrazolidin-3-yl)phenyl]ethanoic acid
MOLECULAR FORMULA: C17H18N2O2
MOLECULAR WEIGHT: 282.33702
SMILES: C1C(NNC1C2=CC=CC=C2CC(=O)O)C3=CC=CC=C3
CAS RN: 1145-23-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H13N5O
MOLECULAR WEIGHT: 231.25382
SMILES: C1CC23[C@H](C4=C(C(=O)N2C1)NC=C4)N=C(N3)N
CAS RN: 114417-04-8
CAS Name: (1R)-3-[(2S)-1-(1,3-dioxo-2-isoindolyl)-3,3-dimethyl-2-aziridinyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(S)-cyano-(3-phenoxyphenyl)methyl] ester
OPENEYE Name: [(S)-cyano-(3-phenoxyphenyl)methyl] (1R)-3-[(2S)-1-(1,3-dioxoisoindolin-2-yl)-3,3-dimethyl-aziridin-2-yl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(S)-cyano-(3-phenoxyphenyl)methyl] (1R)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(S)-cyano-(3-phenoxyphenyl)methyl] (1R)-3-[(2S)-1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3,3-dimethyl-aziridin-2-yl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C32H29N3O5
MOLECULAR WEIGHT: 535.58976
SMILES: CC1([C@@H](C1[C@H]2C(N2N3C(=O)C4=CC=CC=C4C3=O)(C)C)C(=O)O[C@H](C#N)C5=CC(=CC=C5)OC6=CC=CC=C6)C
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