CAS RN: 140212-86-8
CAS Name: (3Z,5Z,7Z,11Z,13Z,15Z,17Z)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloeicosa-3,5,7,11,13,15,17-heptaen-2-one
OPENEYE Name: (3Z,5Z,7Z,11Z,13Z,15Z,17Z)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
IUPAC Name: (3Z,5Z,7Z,11Z,13Z,15Z,17Z)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
SYSTEMATIC NAME: (3Z,5Z,7Z,11Z,13Z,15Z,17Z)-20-[(E)-hex-2-enyl]-7,15-dimethyl-9,10-bis(oxidanyl)-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
MOLECULAR FORMULA: C27H37NO3
MOLECULAR WEIGHT: 423.58758
SMILES: CCC/C=C/CC1C/C=C\C=C(/C=C\C=C/C(C(/C=C(\C=C/C=C\C(=O)N1)/C)O)O)\C
Structure:
CAS RN: 140156-27-0
CAS Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-[(Z)-prop-1-enyl]-3H-purine-2,6-dione
OPENEYE Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-[(Z)-prop-1-enyl]-3H-purine-2,6-dione
IUPAC Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-[(Z)-prop-1-enyl]-3H-purine-2,6-dione
SYSTEMATIC NAME: 9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-[(Z)-prop-1-enyl]-3H-purine-2,6-dione
MOLECULAR FORMULA: C13H16N4O6
MOLECULAR WEIGHT: 324.28934
SMILES: C/C=C\N1C(=O)C2=C(NC1=O)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
Structure:
CAS RN: 139959-71-0
CAS Name: 1,7-bis[(Z)-but-2-en-2-yl]-3,9-dihydroxy-4,10-dimethyl-6-benzo[b][1,4]benzodioxepinone
OPENEYE Name: 3,9-dihydroxy-4,10-dimethyl-1,7-bis[(Z)-1-methylprop-1-enyl]benzo[b][1,4]benzodioxepin-6-one
IUPAC Name: 1,7-bis[(Z)-but-2-en-2-yl]-3,9-dihydroxy-4,10-dimethylbenzo[b][1,4]benzodioxepin-6-one
SYSTEMATIC NAME: 1,7-bis[(Z)-but-2-en-2-yl]-4,10-dimethyl-3,9-bis(oxidanyl)benzo[b][1,4]benzodioxepin-6-one
MOLECULAR FORMULA: C23H24O5
MOLECULAR WEIGHT: 380.43366
SMILES: C/C=C(/C)\C1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=CC(=C3C)O)/C(=C\C)/C)C)O
Structure:
CAS RN: 139680-61-8
CAS Name: 2-[2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-[(1R,6R)-1,2,6-trimethyl-1-cyclohex-2-enyl]nona-2,6-dienyl]sulfonylethyl]guanidine
OPENEYE Name: 2-[2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine
IUPAC Name: 2-[2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine
SYSTEMATIC NAME: 2-[2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine
MOLECULAR FORMULA: C23H41N3O3S
MOLECULAR WEIGHT: 439.65494
SMILES: C[C@@H]1CCC=C([C@]1(C)CC/C(=C/CC/C(=C\CS(=O)(=O)CCN=C(N)N)/CO)/C)C
Structure:
CAS RN: 139471-01-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H49NO6
MOLECULAR WEIGHT: 543.73456
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@@H]1CCC2=C3[C@H](CC[C@]12C(=O)O)[C@]4(CC[C@@H](C[C@@]45[C@@H]([C@@H]3O)O5)OC(=O)C(C)(C)N)C
Structure:
CAS RN: 139340-56-0
CAS Name: (5Z)-2-amino-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-thiazolone; methanesulfonic acid
OPENEYE Name: (5Z)-2-amino-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]thiazol-4-one; methanesulfonic acid
IUPAC Name: (5Z)-2-amino-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one; methanesulfonic acid
SYSTEMATIC NAME: (5Z)-2-azanyl-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-4-one; methanesulfonic acid
MOLECULAR FORMULA: C19H28N2O5S2
MOLECULAR WEIGHT: 428.56602
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N=C(S2)N.CS(=O)(=O)O
Structure:
CAS RN: 139182-77-7
CAS Name: (11Z)-5,7,9,11-tetramethyl-14-(3,5,7-trihydroxy-4,6-dimethylnonan-2-yl)-1-oxacyclotetradec-11-ene-2,4-dione
OPENEYE Name: (11Z)-5,7,9,11-tetramethyl-14-(2,4,6-trihydroxy-1,3,5-trimethyl-octyl)-1-oxacyclotetradec-11-ene-2,4-dione
IUPAC Name: (11Z)-5,7,9,11-tetramethyl-14-(3,5,7-trihydroxy-4,6-dimethylnonan-2-yl)-1-oxacyclotetradec-11-ene-2,4-dione
SYSTEMATIC NAME: (11Z)-14-[4,6-dimethyl-3,5,7-tris(oxidanyl)nonan-2-yl]-5,7,9,11-tetramethyl-1-oxacyclotetradec-11-ene-2,4-dione
MOLECULAR FORMULA: C28H50O6
MOLECULAR WEIGHT: 482.693
SMILES: CCC(C(C)C(C(C)C(C(C)C1C/C=C(\CC(CC(CC(C(=O)CC(=O)O1)C)C)C)/C)O)O)O
Structure:
CAS RN: 139182-76-6
CAS Name: 1-hydroxy-2,3-dimethoxy-6-[(2Z,5Z,7Z,9S,10S,11Z)-10-methoxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5-methyl-4-pyridinone
OPENEYE Name: 1-hydroxy-2,3-dimethoxy-6-[(2Z,5Z,7Z,9S,10S,11Z)-10-methoxy-3,7,9,11-tetramethyl-trideca-2,5,7,11-tetraenyl]-5-methyl-pyridin-4-one
IUPAC Name: 1-hydroxy-2,3-dimethoxy-6-[(2Z,5Z,7Z,9S,10S,11Z)-10-methoxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5-methylpyridin-4-one
SYSTEMATIC NAME: 2,3-dimethoxy-6-[(2Z,5Z,7Z,9S,10S,11Z)-10-methoxy-3,7,9,11-tetramethyl-trideca-2,5,7,11-tetraenyl]-5-methyl-1-oxidanyl-pyridin-4-one
MOLECULAR FORMULA: C26H39NO5
MOLECULAR WEIGHT: 445.59156
SMILES: C/C=C(/C)\[C@H]([C@@H](C)/C=C(/C)\C=C/C/C(=C\CC1=C(C(=O)C(=C(N1O)OC)OC)C)/C)OC
Structure:
CAS RN: 139167-47-8
CAS Name: 1,3-diethyl-2-[(E,3E)-3-(1,3,3-trimethyl-2-indolylidene)prop-1-enyl]-1,2-dihydrobenzo[f]benzimidazol-1-ium chloride
OPENEYE Name: 1,3-diethyl-2-[(E,3E)-3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]-1,2-dihydrobenzo[f]benzimidazol-1-ium chloride
IUPAC Name: 1,3-diethyl-2-[(E,3E)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]-1,2-dihydrobenzo[f]benzimidazol-1-ium chloride
SYSTEMATIC NAME: 1,3-diethyl-2-[(E,3E)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]-1,2-dihydrobenzo[f]benzimidazol-1-ium chloride
MOLECULAR FORMULA: C29H34ClN3
MOLECULAR WEIGHT: 460.05336
SMILES: CC[NH+]1C(N(C2=CC3=CC=CC=C3C=C21)CC)/C=C/C=C/4\C(C5=CC=CC=C5N4C)(C)C.[Cl-]
Structure:
CAS RN: 139067-52-0
CAS Name: (E)-4-[[(1R)-2-[[(2R)-2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]-1-phenylethyl]amino]-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethyl]amino]-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethyl]amino]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C35H40N4O6
MOLECULAR WEIGHT: 612.7153
SMILES: C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)NC[C@@H](C3=CC=CC=C3)NC(=O)/C=C/C(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6
Structure:
CAS RN: 139051-14-2
CAS Name: (1R,4aR,6R,7S,7aR)-6-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
OPENEYE Name: methyl (1R,4aR,6R,7S,7aR)-6-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
IUPAC Name: methyl (1R,4aR,6R,7S,7aR)-6-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
SYSTEMATIC NAME: methyl (1R,4aR,6R,7S,7aR)-6-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
MOLECULAR FORMULA: C26H32O13
MOLECULAR WEIGHT: 552.52448
SMILES: C[C@@H]1[C@@H](C[C@@H]2[C@H]1[C@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)O
Structure:
CAS RN: 139039-72-8
CAS Name: (2E)-2-[(E)-7-[3-(1,3-dihydroxypropan-2-ylidene)-2-(3-hydroxypropyl)-1,6-dimethylcyclohexyl]-4-methylhept-4-enylidene]-6-methylheptane-1,5,6-triol
OPENEYE Name: (2E)-2-[(E)-7-[3-[2-hydroxy-1-(hydroxymethyl)ethylidene]-2-(3-hydroxypropyl)-1,6-dimethyl-cyclohexyl]-4-methyl-hept-4-enylidene]-6-methyl-heptane-1,5,6-triol
IUPAC Name: (2E)-2-[(E)-7-[3-(1,3-dihydroxypropan-2-ylidene)-2-(3-hydroxypropyl)-1,6-dimethylcyclohexyl]-4-methylhept-4-enylidene]-6-methylheptane-1,5,6-triol
SYSTEMATIC NAME: (2E)-2-[(E)-7-[3-[1,3-bis(oxidanyl)propan-2-ylidene]-1,6-dimethyl-2-(3-oxidanylpropyl)cyclohexyl]-4-methyl-hept-4-enylidene]-6-methyl-heptane-1,5,6-triol
MOLECULAR FORMULA: C30H54O6
MOLECULAR WEIGHT: 510.74616
SMILES: CC1CCC(=C(CO)CO)C(C1(C)CC/C=C(\C)/CC/C=C(\CCC(C(C)(C)O)O)/CO)CCCO
Structure:
CAS RN: 138847-94-6
CAS Name: 5-[bis(phenylmethyl)amino]-2-[(E)-2-[4-[bis(phenylmethyl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
OPENEYE Name: 5-(dibenzylamino)-2-[(E)-2-[4-(dibenzylamino)-2-sulfo-phenyl]vinyl]benzenesulfonic acid
IUPAC Name: 5-(dibenzylamino)-2-[(E)-2-[4-(dibenzylamino)-2-sulfophenyl]ethenyl]benzenesulfonic acid
SYSTEMATIC NAME: 5-[bis(phenylmethyl)amino]-2-[(E)-2-[4-[bis(phenylmethyl)amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid
MOLECULAR FORMULA: C42H38N2O6S2
MOLECULAR WEIGHT: 730.89092
SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N(CC5=CC=CC=C5)CC6=CC=CC=C6)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 138686-73-4
CAS Name: [(E,2S,3R)-1,3-dihydroxyoct-4-en-2-yl]-trimethylammonium
OPENEYE Name: [(E,1S,2R)-2-hydroxy-1-(hydroxymethyl)hept-3-enyl]-trimethyl-ammonium
IUPAC Name: [(E,2S,3R)-1,3-dihydroxyoct-4-en-2-yl]-trimethylazanium
SYSTEMATIC NAME: [(E,2S,3R)-1,3-bis(oxidanyl)oct-4-en-2-yl]-trimethyl-azanium
MOLECULAR FORMULA: C11H24NO2+
MOLECULAR WEIGHT: 202.31376
SMILES: CCC/C=C/[C@H]([C@H](CO)[N+](C)(C)C)O
Structure:
CAS RN: 138668-74-3
CAS Name: (E)-2-phosphonooxy-2-butenedioic acid
OPENEYE Name: (E)-2-phosphonooxybut-2-enedioic acid
IUPAC Name: (E)-2-phosphonooxybut-2-enedioic acid
SYSTEMATIC NAME: (E)-2-phosphonooxybut-2-enedioic acid
MOLECULAR FORMULA: C4H5O8P
MOLECULAR WEIGHT: 212.051461
SMILES: C(=C(\C(=O)O)/OP(=O)(O)O)\C(=O)O
Structure:
CAS RN: 138329-21-2
CAS Name: (10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2,3,9-triol
OPENEYE Name: (10S,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2,3,9-triol
IUPAC Name: (10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2,3,9-triol
SYSTEMATIC NAME: (10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2,3,9-triol
MOLECULAR FORMULA: C28H46O3
MOLECULAR WEIGHT: 430.66304
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3(C2=CCC4[C@@]3(CC(C(C4)O)O)C)O)C
Structure:
CAS RN: 138258-82-9
CAS Name: 7-[(1R,2R,3R)-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-3-methyl-5-oxocyclopentyl]hepta-4,5-dienoic acid methyl ester
OPENEYE Name: methyl 7-[(1R,2R,3R)-2-[(E,3R)-3-hydroxy-4-phenoxy-but-1-enyl]-3-methyl-5-oxo-cyclopentyl]hepta-4,5-dienoate
IUPAC Name: methyl 7-[(1R,2R,3R)-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-3-methyl-5-oxocyclopentyl]hepta-4,5-dienoate
SYSTEMATIC NAME: methyl 7-[(1R,2R,3R)-3-methyl-5-oxidanylidene-2-[(E,3R)-3-oxidanyl-4-phenoxy-but-1-enyl]cyclopentyl]hepta-4,5-dienoate
MOLECULAR FORMULA: C24H30O5
MOLECULAR WEIGHT: 398.492
SMILES: C[C@@H]1CC(=O)[C@@H]([C@H]1/C=C/[C@H](COC2=CC=CC=C2)O)CC=C=CCCC(=O)OC
Structure:
CAS RN: 138230-19-0
CAS Name: 7-[3-hydroxy-2-[(E)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]-N-methylsulfonylhepta-4,5-dienamide
OPENEYE Name: 7-[3-hydroxy-2-[(E)-3-hydroxy-4-phenoxy-but-1-enyl]-5-oxo-cyclopentyl]-N-methylsulfonyl-hepta-4,5-dienamide
IUPAC Name: 7-[3-hydroxy-2-[(E)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]-N-methylsulfonylhepta-4,5-dienamide
SYSTEMATIC NAME: N-methylsulfonyl-7-[3-oxidanyl-5-oxidanylidene-2-[(E)-3-oxidanyl-4-phenoxy-but-1-enyl]cyclopentyl]hepta-4,5-dienamide
MOLECULAR FORMULA: C23H29NO7S
MOLECULAR WEIGHT: 463.54386
SMILES: CS(=O)(=O)NC(=O)CCC=C=CCC1C(C(CC1=O)O)/C=C/C(COC2=CC=CC=C2)O
Structure:
CAS RN: 137593-45-4
CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(E)-1-oxooct-3-enyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-3,3-dimethyl-6-[[(E)-oct-3-enoyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-3,3-dimethyl-6-[[(E)-oct-3-enoyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-3,3-dimethyl-6-[[(E)-oct-3-enoyl]amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C16H24N2O4S
MOLECULAR WEIGHT: 340.43776
SMILES: CCCC/C=C/CC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O
Structure:
CAS RN: 137563-64-5
CAS Name: (E)-6-methyl-N-[7-methyl-3-(2-methylpropyl)-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]-2-octenamide
OPENEYE Name: (E)-N-(3-isobutyl-7-methyl-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl)-6-methyl-oct-2-enamide
IUPAC Name: (E)-6-methyl-N-[7-methyl-3-(2-methylpropyl)-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]oct-2-enamide
SYSTEMATIC NAME: (E)-6-methyl-N-[7-methyl-3-(2-methylpropyl)-2,5,6,9-tetrakis(oxidanylidene)-1,4,8-triazacyclotridec-10-yl]oct-2-enamide
MOLECULAR FORMULA: C24H40N4O5
MOLECULAR WEIGHT: 464.5982
SMILES: CCC(C)CC/C=C/C(=O)NC1CCCNC(=O)C(NC(=O)C(=O)C(NC1=O)C)CC(C)C
Structure:
CAS RN: 137563-63-4
CAS Name: (E)-6-methyl-N-[(3S,7S,10S)-7-methyl-3-(2-methylpropyl)-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]-2-heptenamide
OPENEYE Name: (E)-N-[(3S,7S,10S)-3-isobutyl-7-methyl-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]-6-methyl-hept-2-enamide
IUPAC Name: (E)-6-methyl-N-[(3S,7S,10S)-7-methyl-3-(2-methylpropyl)-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]hept-2-enamide
SYSTEMATIC NAME: (E)-6-methyl-N-[(3S,7S,10S)-7-methyl-3-(2-methylpropyl)-2,5,6,9-tetrakis(oxidanylidene)-1,4,8-triazacyclotridec-10-yl]hept-2-enamide
MOLECULAR FORMULA: C23H38N4O5
MOLECULAR WEIGHT: 450.57162
SMILES: C[C@H]1C(=O)C(=O)N[C@H](C(=O)NCCC[C@@H](C(=O)N1)NC(=O)/C=C/CCC(C)C)CC(C)C
Structure:
CAS RN: 137550-81-3
CAS Name: 2-[2-[(E)-2-[8-[bis(carboxymethyl)amino]-6-fluoro-2-quinolinyl]ethenyl]-N-(carboxymethyl)anilino]acetic acid
OPENEYE Name: 2-[2-[(E)-2-[8-[bis(carboxymethyl)amino]-6-fluoro-2-quinolyl]vinyl]-N-(carboxymethyl)anilino]acetic acid
IUPAC Name: 2-[2-[(E)-2-[8-[bis(carboxymethyl)amino]-6-fluoroquinolin-2-yl]ethenyl]-N-(carboxymethyl)anilino]acetic acid
SYSTEMATIC NAME: 2-[[2-[(E)-2-[8-[bis(2-hydroxy-2-oxoethyl)amino]-6-fluoranyl-quinolin-2-yl]ethenyl]phenyl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
MOLECULAR FORMULA: C25H22FN3O8
MOLECULAR WEIGHT: 511.455883
SMILES: C1=CC=C(C(=C1)/C=C/C2=NC3=C(C=C(C=C3C=C2)F)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
Structure:
CAS RN: 137255-19-7
CAS Name: (E)-7-[(1R,2R,3R)-2-[(1E,4R,5E)-6-(1-cyclopentenyl)-4-hydroxy-4-methylhexa-1,5-dienyl]-3-hydroxy-5-oxocyclopentyl]-4-heptenoic acid methyl ester
OPENEYE Name: methyl (E)-7-[(1R,2R,3R)-2-[(1E,4R,5E)-6-(cyclopenten-1-yl)-4-hydroxy-4-methyl-hexa-1,5-dienyl]-3-hydroxy-5-oxo-cyclopentyl]hept-4-enoate
IUPAC Name: methyl (E)-7-[(1R,2R,3R)-2-[(1E,4R,5E)-6-(cyclopenten-1-yl)-4-hydroxy-4-methylhexa-1,5-dienyl]-3-hydroxy-5-oxocyclopentyl]hept-4-enoate
SYSTEMATIC NAME: methyl (E)-7-[(1R,2R,3R)-2-[(1E,4R,5E)-6-(cyclopenten-1-yl)-4-methyl-4-oxidanyl-hexa-1,5-dienyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-4-enoate
MOLECULAR FORMULA: C25H36O5
MOLECULAR WEIGHT: 416.55034
SMILES: C[C@@](C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CC/C=C/CCC(=O)OC)O)(/C=C/C2=CCCC2)O
Structure:
CAS RN: 137196-25-9
CAS Name: (1R,2R)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)-1-propanol
OPENEYE Name: (1R,2R)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
IUPAC Name: (1R,2R)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
SYSTEMATIC NAME: (1R,2R)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
MOLECULAR FORMULA: C23H30O7
MOLECULAR WEIGHT: 418.4801
SMILES: C/C=C/C1=CC(=C(C(=C1)OC)O[C@H](C)[C@@H](C2=CC(=C(C(=C2)OC)OC)OC)O)OC
Structure:
CAS RN: 136398-54-4
CAS Name: (2E,4E,6E)-7-[3-[[(2E,4E)-5-cyclohexyl-1-oxopenta-2,4-dienyl]amino]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]-N-(2-hydroxy-5-oxo-1-cyclopentenyl)hepta-2,4,6-trienamide
OPENEYE Name: (2E,4E,6E)-7-[3-[[(2E,4E)-5-cyclohexylpenta-2,4-dienoyl]amino]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]-N-(2-hydroxy-5-oxo-cyclopenten-1-yl)hepta-2,4,6-trienamide
IUPAC Name: (2E,4E,6E)-7-[3-[[(2E,4E)-5-cyclohexylpenta-2,4-dienoyl]amino]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]-N-(2-hydroxy-5-oxocyclopenten-1-yl)hepta-2,4,6-trienamide
SYSTEMATIC NAME: (2E,4E,6E)-7-[3-[[(2E,4E)-5-cyclohexylpenta-2,4-dienoyl]amino]-5-oxidanyl-2-oxidanylidene-7-oxabicyclo[4.1.0]hept-3-en-5-yl]-N-(2-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)hepta-2,4,6-trienamide
MOLECULAR FORMULA: C29H32N2O7
MOLECULAR WEIGHT: 520.57358
SMILES: C1CCC(CC1)/C=C/C=C/C(=O)NC2=CC(C3C(C2=O)O3)(/C=C/C=C/C=C/C(=O)NC4=C(CCC4=O)O)O
Structure:
CAS RN: 136338-57-3
CAS Name: [(E)-4-(2-amino-4-oxo-1H-pteridin-6-yl)-2-hydroxybut-3-enyl] dihydrogen phosphate
OPENEYE Name: [(E)-4-(2-amino-4-oxo-1H-pteridin-6-yl)-2-hydroxy-but-3-enyl] dihydrogen phosphate
IUPAC Name: [(E)-4-(2-amino-4-oxo-1H-pteridin-6-yl)-2-hydroxybut-3-enyl] dihydrogen phosphate
SYSTEMATIC NAME: [(E)-4-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)-2-oxidanyl-but-3-enyl] dihydrogen phosphate
MOLECULAR FORMULA: C10H12N5O6P
MOLECULAR WEIGHT: 329.205941
SMILES: C1=C(N=C2C(=N1)NC(=NC2=O)N)/C=C/C(COP(=O)(O)O)O
Structure:
CAS RN: 136164-66-4
CAS Name: (2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)methylidene]undecanoic acid
OPENEYE Name: (2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methylene]undecanoic acid
IUPAC Name: (2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]undecanoic acid
SYSTEMATIC NAME: (2E)-2-[[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methylidene]undecanoic acid
MOLECULAR FORMULA: C21H30O6
MOLECULAR WEIGHT: 378.4593
SMILES: CCCCCCCCC/C(=C\C1=C(C(=O)C(=C(C1=O)OC)OC)C)/C(=O)O
Structure:
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