CAS RN: 368455-04-3
CAS Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhepta-4,6-dienyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,1
OPENEYE Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methyl-hepta-4,6-dienyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,
IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhepta-4,6-dienyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,1
SYSTEMATIC NAME: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(1R,2R,4E)-2-methyl-1-oxidanyl-hepta-4,6-dienyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8
MOLECULAR FORMULA: C63H111N11O12
MOLECULAR WEIGHT: 1214.62194
SMILES: CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C=C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
Structure:
CAS RN: 515814-00-3
CAS Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhepta-4,6-dienyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,1
OPENEYE Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methyl-hepta-4,6-dienyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,
IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhepta-4,6-dienyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,1
SYSTEMATIC NAME: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(1R,2R,4E)-2-methyl-1-oxidanyl-hepta-4,6-dienyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8
MOLECULAR FORMULA: C63H111N11O12
MOLECULAR WEIGHT: 1214.62194
SMILES: CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C=C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
Structure:
CAS RN: 241479-67-4
CAS Name: 4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-thiazolyl]benzonitrile
OPENEYE Name: 4-[2-[(1R,2R)-2-(2,5-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]thiazol-4-yl]benzonitrile
IUPAC Name: 4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile
SYSTEMATIC NAME: 4-[2-[(2R,3R)-3-[2,5-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzenecarbonitrile
MOLECULAR FORMULA: C22H17F2N5OS
MOLECULAR WEIGHT: 437.465086
SMILES: C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)O
Structure:
CAS RN: 194085-75-1
CAS Name: carbamic acid [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] ester
OPENEYE Name: [(2S)-2-(2-chlorophenyl)-2-hydroxy-ethyl] carbamate
IUPAC Name: [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate
SYSTEMATIC NAME: [(2S)-2-(2-chlorophenyl)-2-oxidanyl-ethyl] carbamate
MOLECULAR FORMULA: C9H10ClNO3
MOLECULAR WEIGHT: 215.6336
SMILES: C1=CC=C(C(=C1)[C@@H](COC(=O)N)O)Cl
Structure:
CAS RN: 199796-52-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C69H81NO15
MOLECULAR WEIGHT: 1164.37914
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H]([C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)C(=O)O[C@H]3C[C@]4([C@H]([C@H]5[C@@]([C@H](C[C@@H]6[C@]5(CO6)OC(=O)C)O)(C(=O)[C@@H](C(=C3C)C4(C)C)OC(=O)C)C)OC(=O)C7=CC=CC=C7)O
Structure:
CAS RN: 160237-25-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H55NO14S
MOLECULAR WEIGHT: 914.0243
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OCSC)C)OC(=O)C
Structure:
CAS RN: 150322-43-3
CAS Name: acetic acid [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] ester
OPENEYE Name: [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
IUPAC Name: [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
SYSTEMATIC NAME: [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] ethanoate
MOLECULAR FORMULA: C20H20FNO3S
MOLECULAR WEIGHT: 373.441103
SMILES: CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4
Structure:
CAS RN: 212631-79-3
CAS Name: 2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
OPENEYE Name: 2-(2-chloro-4-iodo-anilino)-N-(cyclopropylmethoxy)-3,4-difluoro-benzamide
IUPAC Name: 2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
SYSTEMATIC NAME: 2-[(2-chloranyl-4-iodanyl-phenyl)amino]-N-(cyclopropylmethoxy)-3,4-bis(fluoranyl)benzamide
MOLECULAR FORMULA: C17H14ClF2IN2O2
MOLECULAR WEIGHT: 478.659536
SMILES: C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl
Structure:
CAS RN: 36945-03-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H18ClN3
MOLECULAR WEIGHT: 299.79792
SMILES: CN1C[C@@H](C[C@H]2[C@H]1CC3=C(NC4=CC=CC2=C34)Cl)CC#N
Structure:
CAS RN: 376653-43-9
CAS Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-1-oxoethyl]amino]-3-[(E)-[1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy-oxomethyl]-3-pyrrolidinyl]-2-oxo-3-pyrrolidinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxy
OPENEYE Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-3-[(E)-[1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxo-pyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic a
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitrosoacetyl]amino]-3-[(E)-[1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic aci
SYSTEMATIC NAME: (6R,7R)-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-3-[(E)-[1-[(3R)-1-[(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxidanylidene-pyrrolidin-3-ylidene]methyl]-8-oxidanylidene-5-thia-1-azabicyc
MOLECULAR FORMULA: C26H26N8O11S2
MOLECULAR WEIGHT: 690.66164
SMILES: CC1=C(OC(=O)O1)COC(=O)N2CC[C@H](C2)N3CC/C(=C\C4=C(N5[C@@H]([C@@H](C5=O)NC(=O)/C(=C\6/NSC(=N6)N)/N=O)SC4)C(=O)O)/C3=O
Structure:
CAS RN: 209467-52-7
CAS Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-1-oxoethyl]amino]-8-oxo-3-[(E)-[2-oxo-1-[(3R)-3-pyrrolidinyl]-3-pyrrolidinylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-8-oxo-3-[(E)-[2-oxo-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitrosoacetyl]amino]-8-oxo-3-[(E)-[2-oxo-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-8-oxidanylidene-3-[(E)-[2-oxidanylidene-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C20H22N8O6S2
MOLECULAR WEIGHT: 534.56868
SMILES: C1CNC[C@@H]1N2CC/C(=C\C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=C\5/NSC(=N5)N)/N=O)SC3)C(=O)O)/C2=O
Structure:
CAS RN: 173334-58-2
CAS Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide; (E)-2-butenedioic acid
OPENEYE Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxo-propyl)-4-hydroxy-2-isopropyl-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-nonanamide; fumaric acid
IUPAC Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (2S,4S,5S,7S)-5-azanyl-N-(3-azanyl-2,2-dimethyl-3-oxidanylidene-propyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-4-oxidanyl-2-propan-2-yl-nonanamide; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C64H110N6O16
MOLECULAR WEIGHT: 1219.5888
SMILES: CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 186348-23-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H57NO17
MOLECULAR WEIGHT: 871.91988
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@]5(C2(C)C)[C@H]([C@@H]1OC(=O)[C@@H]([C@H](CC(C)C)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C
Structure:
CAS RN: 33880-83-0
CAS Name: (1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)cyclohexane
OPENEYE Name: (1S,2S,4R)-2,4-diisopropenyl-1-methyl-1-vinyl-cyclohexane
IUPAC Name: (1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
SYSTEMATIC NAME: (1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: CC(=C)[C@@H]1CC[C@@]([C@@H](C1)C(=C)C)(C)C=C
Structure:
CAS RN: 195068-07-6
CAS Name: 1-[(2R)-3,4-dihydro-2H-1-benzopyran-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine hydrochloride
OPENEYE Name: 1-[(2R)-chroman-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridyl]methyl]methanamine hydrochloride
IUPAC Name: 1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]methanamine hydrochloride
SYSTEMATIC NAME: 1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]methanamine hydrochloride
MOLECULAR FORMULA: C22H22ClFN2O
MOLECULAR WEIGHT: 384.874283
SMILES: C1CC2=CC=CC=C2O[C@H]1CNCC3=CN=CC(=C3)C4=CC=C(C=C4)F.Cl
Structure:
CAS RN: 170729-80-3
CAS Name: 5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
OPENEYE Name: 5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
IUPAC Name: 5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
SYSTEMATIC NAME: 5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
MOLECULAR FORMULA: C23H21F7N4O3
MOLECULAR WEIGHT: 534.426662
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)NN3)C4=CC=C(C=C4)F
Structure:
CAS RN: 213819-48-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H28ClN3O4
MOLECULAR WEIGHT: 469.96052
SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CCNC(C)C)O.Cl
Structure:
CAS RN: 179545-77-8
CAS Name: (2S)-4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-[(phenylthio)methyl]butanoic acid
OPENEYE Name: (2S)-4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-(phenylsulfanylmethyl)butanoic acid
IUPAC Name: (2S)-4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-(phenylsulfanylmethyl)butanoic acid
SYSTEMATIC NAME: (2S)-4-[4-(4-chlorophenyl)phenyl]-4-oxidanylidene-2-(phenylsulfanylmethyl)butanoic acid
MOLECULAR FORMULA: C23H19ClO3S
MOLECULAR WEIGHT: 410.91316
SMILES: C1=CC=C(C=C1)SC[C@@H](CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O
Structure:
CAS RN: 174545-76-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H48N2O10
MOLECULAR WEIGHT: 656.76302
SMILES: CC1=CC[C@@H]([C@@H]/2[C@H]1C[C@@H]([C@@]3(C=C[C@@](O3)(/C(=C2)/CO[C@H]4[C@H]([C@@H]([C@@H](CO4)O)O)OC(=O)C)OC)C)OC(=O)/C=C/C5=CN(C=N5)C)C(C)C
Structure:
CAS RN: 168266-51-1
CAS Name: (2S,3S)-N-[[2-methoxy-5-[5-(trifluoromethyl)-1-tetrazolyl]phenyl]methyl]-2-phenyl-3-piperidinamine dihydrochloride
OPENEYE Name: (2S,3S)-N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenyl-piperidin-3-amine dihydrochloride
IUPAC Name: (2S,3S)-N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine dihydrochloride
SYSTEMATIC NAME: (2S,3S)-N-[[2-methoxy-5-[5-(trifluoromethyl)-1,2,3,4-tetrazol-1-yl]phenyl]methyl]-2-phenyl-piperidin-3-amine dihydrochloride
MOLECULAR FORMULA: C21H25Cl2F3N6O
MOLECULAR WEIGHT: 505.36401
SMILES: COC1=C(C=C(C=C1)N2C(=NN=N2)C(F)(F)F)CN[C@H]3CCCN[C@H]3C4=CC=CC=C4.Cl.Cl
Structure:
CAS RN: 177255-04-8
CAS Name: (3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-1-benzopyran-5-carboxamide; (2R,3R)-2,3-dihydroxybutanedioic acid; hydrate
OPENEYE Name: (3R)-3-[di(cyclobutyl)amino]-8-fluoro-chromane-5-carboxamide; (2R,3R)-2,3-dihydroxybutanedioic acid; hydrate
IUPAC Name: (3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide; (2R,3R)-2,3-dihydroxybutanedioic acid; hydrate
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; (3R)-3-[di(cyclobutyl)amino]-8-fluoranyl-3,4-dihydro-2H-chromene-5-carboxamide; hydrate
MOLECULAR FORMULA: C22H31FN2O9
MOLECULAR WEIGHT: 486.487943
SMILES: C1CC(C1)N([C@@H]2CC3=C(C=CC(=C3OC2)F)C(=O)N)C4CCC4.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.O
Structure:
CAS RN: 163521-12-8
CAS Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-2-benzofurancarboxamide
OPENEYE Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzofuran-2-carboxamide
IUPAC Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
SYSTEMATIC NAME: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
MOLECULAR FORMULA: C26H27N5O2
MOLECULAR WEIGHT: 441.52488
SMILES: C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N
Structure:
CAS RN: 222030-63-9
CAS Name: disodium [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
OPENEYE Name: disodium [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)vinyl]phenyl] phosphate
IUPAC Name: disodium [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
SYSTEMATIC NAME: disodium [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
MOLECULAR FORMULA: C18H19Na2O8P
MOLECULAR WEIGHT: 440.291961
SMILES: COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)OP(=O)([O-])[O-].[Na+].[Na+]
Structure:
CAS RN: 38398-32-2
CAS Name: 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
OPENEYE Name: 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
IUPAC Name: 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
SYSTEMATIC NAME: 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3,10,13-trimethyl-3-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
MOLECULAR FORMULA: C22H36O2
MOLECULAR WEIGHT: 332.52004
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@](C4)(C)O)C)C
Structure:
CAS RN: 135729-62-3
CAS Name: (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one hydrochloride
OPENEYE Name: (3aS)-2-[(3S)-quinuclidin-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one hydrochloride
IUPAC Name: (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one hydrochloride
SYSTEMATIC NAME: (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one hydrochloride
MOLECULAR FORMULA: C19H25ClN2O
MOLECULAR WEIGHT: 332.8676
SMILES: C1C[C@@H]2CN(C(=O)C3=C2C(=CC=C3)C1)[C@@H]4CN5CCC4CC5.Cl
Structure:
CAS RN: 164656-23-9
CAS Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
OPENEYE Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
IUPAC Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
SYSTEMATIC NAME: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxidanylidene-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
MOLECULAR FORMULA: C27H30F6N2O2
MOLECULAR WEIGHT: 528.529719
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C
Structure:
CAS RN: 92262-58-3
CAS Name: N-(2-amino-2-oxoethyl)-2-propylpentanamide
OPENEYE Name: N-(2-amino-2-oxo-ethyl)-2-propyl-pentanamide
IUPAC Name: N-(2-amino-2-oxoethyl)-2-propylpentanamide
SYSTEMATIC NAME: N-(2-azanyl-2-oxidanylidene-ethyl)-2-propyl-pentanamide
MOLECULAR FORMULA: C10H20N2O2
MOLECULAR WEIGHT: 200.278
SMILES: CCCC(CCC)C(=O)NCC(=O)N
Structure:
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