CAS RN: 155561-67-4
CAS Name: (2R)-2-[[(2R)-2-[[(2S)-2-[[1-azepanyl(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1-methyl-3-indolyl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid
OPENEYE Name: (2R)-2-[[(2R)-2-[[(2S)-2-(azepane-1-carbonylamino)-4-methyl-pentanoyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
IUPAC Name: (2R)-2-[[(2R)-2-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: (2R)-2-[[(2R)-2-[[(2S)-2-(azepan-1-ylcarbonylamino)-4-methyl-pentanoyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
MOLECULAR FORMULA: C34H45N5O6
MOLECULAR WEIGHT: 619.751
SMILES: CC(C)C[C@@H](C(=O)N[C@H](CC1=CN(C2=CC=CC=C21)C)C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)N4CCCCCC4
Structure:
CAS RN: 155432-64-7
CAS Name: 2-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one
OPENEYE Name: 2-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one
IUPAC Name: 2-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one
SYSTEMATIC NAME: 2-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-[4-[2,2,3,3-tetrakis(fluoranyl)propoxy]phenyl]-1,2,4-triazol-3-one
MOLECULAR FORMULA: C23H20F6N6O3
MOLECULAR WEIGHT: 542.433719
SMILES: CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C(=O)N(C=N3)C4=CC=C(C=C4)OCC(C(F)F)(F)F
Structure:
CAS RN: 147541-45-5
CAS Name: 3-[[(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidinyl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
OPENEYE Name: 3-[[(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidyl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
IUPAC Name: 3-[[(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
SYSTEMATIC NAME: 3-[[(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
MOLECULAR FORMULA: C28H38N2O5
MOLECULAR WEIGHT: 482.61172
SMILES: COC1=C(C=C(C=C1)CCN2CCC[C@H](C2)CN3CCC4=CC(=C(C=C4CC3=O)OC)OC)OC
Structure:
CAS RN: 155233-34-4
CAS Name: 3-[[(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidinyl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one hydrochloride
OPENEYE Name: 3-[[(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidyl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one hydrochloride
IUPAC Name: 3-[[(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one hydrochloride
SYSTEMATIC NAME: 3-[[(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one hydrochloride
MOLECULAR FORMULA: C28H39ClN2O5
MOLECULAR WEIGHT: 519.07266
SMILES: COC1=C(C=C(C=C1)CCN2CCC[C@H](C2)CN3CCC4=CC(=C(C=C4CC3=O)OC)OC)OC.Cl
Structure:
CAS RN: 155215-78-4
CAS Name: (2S)-6-amino-2-[[4-[[(2S)-2-amino-3-carboxy-1-oxopropyl]-[(2S)-2-amino-1,5-dioxo-5-[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methoxy]pentyl]amino]-1-oxobutyl]amino]hexanoic acid
OPENEYE Name: (2S)-6-amino-2-[4-[[(2S)-2-amino-3-carboxy-propanoyl]-[(2S)-2-amino-5-oxo-5-[(2S)-5-oxopyrrolidine-2-carbonyl]oxy-pentanoyl]amino]butanoylamino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[4-[[(2S)-2-amino-3-carboxypropanoyl]-[(2S)-2-amino-5-oxo-5-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoyl]amino]butanoylamino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[4-[[(2S)-2-azanyl-5-oxidanylidene-5-[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonyloxy-pentanoyl]-[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanoylamino]hexanoic acid
MOLECULAR FORMULA: C24H38N6O11
MOLECULAR WEIGHT: 586.59212
SMILES: C1CC(=O)N[C@@H]1C(=O)OC(=O)CC[C@@H](C(=O)N(CCCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)[C@H](CC(=O)O)N)N
Structure:
CAS RN: 155114-46-8
CAS Name: 6-[dimethyl-[3-(4-oxo-2-phenyl-2,3-dihydroquinazolin-1-yl)propyl]ammonio]hexyl-dimethyl-[3-(4-oxo-2-phenyl-2,3-dihydroquinazolin-1-yl)propyl]ammonium dibromide
OPENEYE Name: 6-[dimethyl-[3-(4-oxo-2-phenyl-2,3-dihydroquinazolin-1-yl)propyl]ammonio]hexyl-dimethyl-[3-(4-oxo-2-phenyl-2,3-dihydroquinazolin-1-yl)propyl]ammonium dibromide
IUPAC Name: 6-[dimethyl-[3-(4-oxo-2-phenyl-2,3-dihydroquinazolin-1-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-oxo-2-phenyl-2,3-dihydroquinazolin-1-yl)propyl]azanium dibromide
SYSTEMATIC NAME: 6-[dimethyl-[3-(4-oxidanylidene-2-phenyl-2,3-dihydroquinazolin-1-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-oxidanylidene-2-phenyl-2,3-dihydroquinazolin-1-yl)propyl]azanium dibromide
MOLECULAR FORMULA: C44H58Br2N6O2
MOLECULAR WEIGHT: 862.77832
SMILES: C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(NC(=O)C2=CC=CC=C21)C3=CC=CC=C3)CCCN4C(NC(=O)C5=CC=CC=C54)C6=CC=CC=C6.[Br-].[Br-]
Structure:
CAS RN: 155029-33-7
CAS Name: [4-(1-imidazolyl)phenyl]-(7-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone; perchloric acid
OPENEYE Name: (4-imidazol-1-ylphenyl)-(7-isopropyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone; perchloric acid
IUPAC Name: (4-imidazol-1-ylphenyl)-(7-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone; perchloric acid
SYSTEMATIC NAME: (4-imidazol-1-ylphenyl)-(7-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone; perchloric acid
MOLECULAR FORMULA: C20H27ClN4O5
MOLECULAR WEIGHT: 438.90518
SMILES: CC(C)N1CC2CC(C1)CN(C2)C(=O)C3=CC=C(C=C3)N4C=CN=C4.OCl(=O)(=O)=O
Structure:
CAS RN: 155015-71-7
CAS Name: 2-[[2-[bis(carboxymethyl)amino]-3-[4-[5-(2,5-dioxo-1-pyrrolyl)pentylamino]phenyl]propyl]-(carboxymethyl)amino]acetic acid
OPENEYE Name: 2-[[2-[bis(carboxymethyl)amino]-3-[4-[5-(2,5-dioxopyrrol-1-yl)pentylamino]phenyl]propyl]-(carboxymethyl)amino]acetic acid
IUPAC Name: 2-[[2-[bis(carboxymethyl)amino]-3-[4-[5-(2,5-dioxopyrrol-1-yl)pentylamino]phenyl]propyl]-(carboxymethyl)amino]acetic acid
SYSTEMATIC NAME: 2-[[2-[bis(2-hydroxy-2-oxoethyl)amino]-3-[4-[5-[2,5-bis(oxidanylidene)pyrrol-1-yl]pentylamino]phenyl]propyl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
MOLECULAR FORMULA: C26H34N4O10
MOLECULAR WEIGHT: 562.56896
SMILES: C1=CC(=CC=C1CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NCCCCCN2C(=O)C=CC2=O
Structure:
CAS RN: 154992-24-2
CAS Name: 4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile
OPENEYE Name: 4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
IUPAC Name: 4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
SYSTEMATIC NAME: 4-[4,4-dimethyl-3-(4-oxidanylbutyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile
MOLECULAR FORMULA: C17H18F3N3O3
MOLECULAR WEIGHT: 369.33833
SMILES: CC1(C(=O)N(C(=O)N1CCCCO)C2=CC(=C(C=C2)C#N)C(F)(F)F)C
Structure:
CAS RN: 154967-59-6
CAS Name: 1-[(3R)-5-(3-azabicyclo[3.2.2]nonan-3-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
OPENEYE Name: 1-[(3R)-5-(3-azabicyclo[3.2.2]nonan-3-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea
IUPAC Name: 1-[(3R)-5-(3-azabicyclo[3.2.2]nonan-3-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
SYSTEMATIC NAME: 1-[(3R)-5-(3-azabicyclo[3.2.2]nonan-3-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
MOLECULAR FORMULA: C26H31N5O2
MOLECULAR WEIGHT: 445.55664
SMILES: CC1=CC(=CC=C1)NC(=O)N[C@H]2C(=O)N(C3=CC=CC=C3C(=N2)N4CC5CCC(C4)CC5)C
Structure:
CAS RN: 154889-68-6
CAS Name: (8S)-8-(bromomethyl)-2-methyl-4-[(4-methyl-1-piperazinyl)-oxomethoxy]-6-[oxo-(5,6,7-trimethoxy-1H-indol-2-yl)methyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylic acid methyl ester
OPENEYE Name: methyl (8S)-8-(bromomethyl)-2-methyl-4-(4-methylpiperazine-1-carbonyl)oxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate
IUPAC Name: methyl (8S)-8-(bromomethyl)-2-methyl-4-(4-methylpiperazine-1-carbonyl)oxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate
SYSTEMATIC NAME: methyl (8S)-8-(bromomethyl)-2-methyl-4-(4-methylpiperazin-1-yl)carbonyloxy-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate
MOLECULAR FORMULA: C32H36BrN5O8
MOLECULAR WEIGHT: 698.56094
SMILES: CC1=C(C2=C3[C@@H](CN(C3=CC(=C2N1)OC(=O)N4CCN(CC4)C)C(=O)C5=CC6=CC(=C(C(=C6N5)OC)OC)OC)CBr)C(=O)OC
Structure:
CAS RN: 136714-83-5
CAS Name: 7-[[[4-[[[4-[[[[5-[[[5-[[(6,8-disulfo-2-naphthalenyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]naphthalene-1,3-disulfonic
OPENEYE Name: 7-[[4-[[4-[[5-[[5-[(6,8-disulfo-2-naphthyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonic acid
IUPAC Name: 7-[[4-[[4-[[5-[[5-[(6,8-disulfonaphthalen-2-yl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonic acid
SYSTEMATIC NAME: 7-[[4-[[4-[[5-[[5-[(6,8-disulfonaphthalen-2-yl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,3-disulfonic acid
MOLECULAR FORMULA: C45H40N10O17S4
MOLECULAR WEIGHT: 1121.1159
SMILES: CN1C=C(C=C1C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CN4C)NC(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NC7=CC8=C(C=C(C=C8C=C7)S(=O)(=O)O)S(=O)(=O)O)C)C
Structure:
CAS RN: 154788-16-6
CAS Name: tetrasodium 7-[[[4-[[[4-[[[[5-[[[5-[[(6,8-disulfonato-2-naphthalenyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]naphthalene
OPENEYE Name: tetrasodium 7-[[4-[[4-[[5-[[5-[(6,8-disulfonato-2-naphthyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonate
IUPAC Name: tetrasodium 7-[[4-[[4-[[5-[[5-[(6,8-disulfonatonaphthalen-2-yl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonate
SYSTEMATIC NAME: tetrasodium 7-[[4-[[4-[[5-[[5-[(6,8-disulfonatonaphthalen-2-yl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,3-disulfonate
MOLECULAR FORMULA: C45H36N10Na4O17S4
MOLECULAR WEIGHT: 1209.04322
SMILES: CN1C=C(C=C1C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC(=CN4C)NC(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NC7=CC8=C(C=C(C=C8C=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 154766-10-6
CAS Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid 4-nitrooxybutyl ester
OPENEYE Name: 4-nitrooxybutyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
IUPAC Name: 4-nitrooxybutyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
SYSTEMATIC NAME: 4-nitrooxybutyl 2-[2-[[2,6-bis(chloranyl)phenyl]amino]phenyl]ethanoate
MOLECULAR FORMULA: C18H18Cl2N2O5
MOLECULAR WEIGHT: 413.25192
SMILES: C1=CC=C(C(=C1)CC(=O)OCCCCO[N+](=O)[O-])NC2=C(C=CC=C2Cl)Cl
Structure:
CAS RN: 156661-01-7
CAS Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid 4-nitrooxybutyl ester
OPENEYE Name: 4-nitrooxybutyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
IUPAC Name: 4-nitrooxybutyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
SYSTEMATIC NAME: 4-nitrooxybutyl 2-[2-[[2,6-bis(chloranyl)phenyl]amino]phenyl]ethanoate
MOLECULAR FORMULA: C18H18Cl2N2O5
MOLECULAR WEIGHT: 413.25192
SMILES: C1=CC=C(C(=C1)CC(=O)OCCCCO[N+](=O)[O-])NC2=C(C=CC=C2Cl)Cl
Structure:
CAS RN: 154566-12-8
CAS Name: (2R)-2-[(2S)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid
OPENEYE Name: (2R)-2-[(2S)-8-(2,4-dichlorophenyl)-2-hydroxy-octyl]-2-hydroxy-butanedioic acid
IUPAC Name: (2R)-2-[(2S)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid
SYSTEMATIC NAME: (2R)-2-[(2S)-8-(2,4-dichlorophenyl)-2-oxidanyl-octyl]-2-oxidanyl-butanedioic acid
MOLECULAR FORMULA: C18H24Cl2O6
MOLECULAR WEIGHT: 407.28556
SMILES: C1=CC(=C(C=C1Cl)Cl)CCCCCC[C@@H](C[C@@](CC(=O)O)(C(=O)O)O)O
Structure:
CAS RN: 154541-72-7
CAS Name: 2-[1-[2-(4-tert-butylphenyl)ethyl]-4-piperidinyl]-1-(2-ethoxyethyl)benzimidazole
OPENEYE Name: 2-[1-[2-(4-tert-butylphenyl)ethyl]-4-piperidyl]-1-(2-ethoxyethyl)benzimidazole
IUPAC Name: 2-[1-[2-(4-tert-butylphenyl)ethyl]piperidin-4-yl]-1-(2-ethoxyethyl)benzimidazole
SYSTEMATIC NAME: 2-[1-[2-(4-tert-butylphenyl)ethyl]piperidin-4-yl]-1-(2-ethoxyethyl)benzimidazole
MOLECULAR FORMULA: C28H39N3O
MOLECULAR WEIGHT: 433.62876
SMILES: CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C
Structure:
CAS RN: 154396-74-4
CAS Name: (2S)-2-[[[(2S)-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoic acid
OPENEYE Name: (2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid
IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C39H52N6O8
MOLECULAR WEIGHT: 732.86558
SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=C(C=C5)O)N
Structure:
CAS RN: 154229-19-3
CAS Name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(3-pyridinyl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(3-pyridyl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C24H31NO
MOLECULAR WEIGHT: 349.50904
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)O
Structure:
CAS RN: 154229-18-2
CAS Name: acetic acid [(3S,10R,13S)-10,13-dimethyl-17-(3-pyridinyl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,10R,13S)-10,13-dimethyl-17-(3-pyridyl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,10R,13S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,10R,13S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C26H33NO2
MOLECULAR WEIGHT: 391.54572
SMILES: CC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CC=C4C5=CN=CC=C5)C)C
Structure:
CAS RN: 154132-95-3
CAS Name: (3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-4-(methylthio)-1-oxo-2-[[1-oxo-2-(4-sulfooxyphenyl)ethyl]amino]butyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-[[(2S)-2-(methylamino)-1-oxo-3-phenylpropyl]amino]-4-
OPENEYE Name: (3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-4-methylsulfanyl-2-[[2-(4-sulfooxyphenyl)acetyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-[[(2S)-2-(methylamino)-3-phenyl-propanoyl]amino]-4-oxo-butanoic aci
IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-4-methylsulfanyl-2-[[2-(4-sulfooxyphenyl)acetyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[2-[[(2S)-4-methylsulfanyl-2-[2-(4-sulfooxyphenyl)ethanoylamino]butanoyl]amino]ethanoylamino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-[[(2S)-2-(methylamino)-3-phenyl-propanoyl]amino]-4-oxidanylidene-bu
MOLECULAR FORMULA: C45H56N8O13S3
MOLECULAR WEIGHT: 1013.16694
SMILES: CN[C@@H](CC1=CC=CC=C1)C(=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)CC4=CC=C(C=C4)OS(=O)(=O)O
Structure:
CAS RN: 154116-31-1
CAS Name: [[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methylphosphonic acid
OPENEYE Name: [[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methylphosphonic acid
IUPAC Name: [[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methylphosphonic acid
SYSTEMATIC NAME: [[(1S)-2-(4-phenylphenyl)-1-(2H-1,2,3,4-tetrazol-5-yl)ethyl]amino]methylphosphonic acid
MOLECULAR FORMULA: C16H18N5O3P
MOLECULAR WEIGHT: 359.319581
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@@H](C3=NNN=N3)NCP(=O)(O)O
Structure:
CAS RN: 154096-58-9
CAS Name: 2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid
OPENEYE Name: 2-[[(1S)-1-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]-3-phenyl-propyl]amino]propanoic acid
IUPAC Name: 2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid
SYSTEMATIC NAME: 2-[[(2S)-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoic acid
MOLECULAR FORMULA: C25H33N3O4
MOLECULAR WEIGHT: 439.54722
SMILES: CC(C)C[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)[C@H](CCC2=CC=CC=C2)NC(C)C(=O)O
Structure:
CAS RN: 153994-81-1
CAS Name: 3-[1-[[3-[cyclohexylmethyl(hydroxy)phosphoryl]-2-hydroxypropyl]amino]ethyl]benzoic acid
OPENEYE Name: 3-[1-[[3-[cyclohexylmethyl(hydroxy)phosphoryl]-2-hydroxy-propyl]amino]ethyl]benzoic acid
IUPAC Name: 3-[1-[[3-[cyclohexylmethyl(hydroxy)phosphoryl]-2-hydroxypropyl]amino]ethyl]benzoic acid
SYSTEMATIC NAME: 3-[1-[[3-[cyclohexylmethyl(oxidanyl)phosphoryl]-2-oxidanyl-propyl]amino]ethyl]benzoic acid
MOLECULAR FORMULA: C19H30NO5P
MOLECULAR WEIGHT: 383.418961
SMILES: CC(C1=CC=CC(=C1)C(=O)O)NCC(CP(=O)(CC2CCCCC2)O)O
Structure:
CAS RN: 153657-85-3
CAS Name: 2-iodo-1-hexadecanol
OPENEYE Name: 2-iodohexadecan-1-ol
IUPAC Name: 2-iodohexadecan-1-ol
SYSTEMATIC NAME: 2-iodanylhexadecan-1-ol
MOLECULAR FORMULA: C16H33IO
MOLECULAR WEIGHT: 368.33709
SMILES: CCCCCCCCCCCCCCC(CO)I
Structure:
CAS RN: 153608-99-2
CAS Name: 2,3-dihydroindol-1-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone hydrochloride
OPENEYE Name: indolin-1-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone hydrochloride
IUPAC Name: 2,3-dihydroindol-1-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone hydrochloride
SYSTEMATIC NAME: 2,3-dihydroindol-1-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone hydrochloride
MOLECULAR FORMULA: C16H18ClN3O
MOLECULAR WEIGHT: 303.78662
SMILES: C1CC2=C(C[C@@H]1C(=O)N3CCC4=CC=CC=C43)NC=N2.Cl
Structure:
CAS RN: 153463-20-8
CAS Name: (3S,5S,9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6,7,7,7-tetrafluoro-6-(trifluoromethyl)heptan-2-yl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
OPENEYE Name: (3S,5S,9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(1R)-5,6,6,6-tetrafluoro-1-methyl-5-(trifluoromethyl)hexyl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
IUPAC Name: (3S,5S,9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6,7,7,7-tetrafluoro-6-(trifluoromethyl)heptan-2-yl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
SYSTEMATIC NAME: (3S,5S,9R,10S,13R,17R)-10,13-dimethyl-3-oxidanyl-17-[(2R)-6,7,7,7-tetrakis(fluoranyl)-6-(trifluoromethyl)heptan-2-yl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
MOLECULAR FORMULA: C27H37F7O2
MOLECULAR WEIGHT: 526.570302
SMILES: C[C@H](CCCC(C(F)(F)F)(C(F)(F)F)F)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O
Structure:
CAS RN: 153438-49-4
CAS Name: (2S)-1-[(3aS,4S,7aS)-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-methoxyphenyl)-1-propanone
OPENEYE Name: (2S)-1-[(3aS,4S,7aS)-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-methoxyphenyl)propan-1-one
IUPAC Name: (2S)-1-[(3aS,4S,7aS)-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-methoxyphenyl)propan-1-one
SYSTEMATIC NAME: (2S)-1-[(3aS,4S,7aS)-4-(2-methoxyphenyl)-4-oxidanyl-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-methoxyphenyl)propan-1-one
MOLECULAR FORMULA: C37H39NO4
MOLECULAR WEIGHT: 561.70986
SMILES: C[C@@H](C1=CC=CC=C1OC)C(=O)N2C[C@@H]3[C@H](C2)C(CC[C@]3(C4=CC=CC=C4OC)O)(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 153088-75-6
CAS Name: (4S)-6-[(2,6-dichlorophenyl)-oxomethoxy]-5-oxo-4-(phenylmethoxycarbonylamino)hexanoic acid
OPENEYE Name: (4S)-4-(benzyloxycarbonylamino)-6-(2,6-dichlorobenzoyl)oxy-5-oxo-hexanoic acid
IUPAC Name: (4S)-6-(2,6-dichlorobenzoyl)oxy-5-oxo-4-(phenylmethoxycarbonylamino)hexanoic acid
SYSTEMATIC NAME: (4S)-6-[2,6-bis(chloranyl)phenyl]carbonyloxy-5-oxidanylidene-4-(phenylmethoxycarbonylamino)hexanoic acid
MOLECULAR FORMULA: C21H19Cl2NO7
MOLECULAR WEIGHT: 468.28406
SMILES: C1=CC=C(C=C1)COC(=O)N[C@@H](CCC(=O)O)C(=O)COC(=O)C2=C(C=CC=C2Cl)Cl
Structure:
CAS RN: 152985-36-9
CAS Name: methanesulfonic acid; (2S)-2-[(1-methyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine
OPENEYE Name: methanesulfonic acid; (2S)-2-[(1-methyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine
IUPAC Name: methanesulfonic acid; (2S)-2-[(1-methyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine
SYSTEMATIC NAME: methanesulfonic acid; (2S)-2-[(1-methyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine
MOLECULAR FORMULA: C16H26N2O5S
MOLECULAR WEIGHT: 358.45304
SMILES: CN1CCCC2=C1C(=CC=C2)OC[C@@H]3CNCCO3.CS(=O)(=O)O
Structure:
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