CAS RN: 125646-11-9
CAS Name: 6-[(1-phenylpropan-2-ylamino)methyl]-1,3-diazinane-2,4-dione hydrochloride
OPENEYE Name: 6-[[(1-methyl-2-phenyl-ethyl)amino]methyl]hexahydropyrimidine-2,4-dione hydrochloride
IUPAC Name: 6-[(1-phenylpropan-2-ylamino)methyl]-1,3-diazinane-2,4-dione hydrochloride
SYSTEMATIC NAME: 6-[(1-phenylpropan-2-ylamino)methyl]-1,3-diazinane-2,4-dione hydrochloride
MOLECULAR FORMULA: C14H20ClN3O2
MOLECULAR WEIGHT: 297.7805
SMILES: CC(CC1=CC=CC=C1)NCC2CC(=O)NC(=O)N2.Cl
Structure:
CAS RN: 125638-70-2
CAS Name: 2,3-dihydroxypropyl [(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] hydrogen phosphate
OPENEYE Name: 2,3-dihydroxypropyl [(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxy-cyclohexyl] hydrogen phosphate
IUPAC Name: 2,3-dihydroxypropyl [(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] hydrogen phosphate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl [(2S,3R,5S,6S)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl] hydrogen phosphate
MOLECULAR FORMULA: C9H20O14P2
MOLECULAR WEIGHT: 414.194222
SMILES: C(C(COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@@H]1O)O)OP(=O)(O)O)O)O)O)O
Structure:
CAS RN: 125620-70-4
CAS Name: 5-hydroxy-2-methylene-4-(1-oxodecyl)-3-furanone
OPENEYE Name: 4-decanoyl-5-hydroxy-2-methylene-furan-3-one
IUPAC Name: 4-decanoyl-5-hydroxy-2-methylidenefuran-3-one
SYSTEMATIC NAME: 4-decanoyl-2-methylidene-5-oxidanyl-furan-3-one
MOLECULAR FORMULA: C15H22O4
MOLECULAR WEIGHT: 266.33278
SMILES: CCCCCCCCCC(=O)C1=C(OC(=C)C1=O)O
Structure:
CAS RN: 125600-60-4
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)-1-oxopentyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3,3-dimethyl-1-oxobutyl]amino]-4-methylpentanoic aci
OPENEYE Name: ethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-guanidino-2-(methylamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoate
IUPAC Name: ethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoate
SYSTEMATIC NAME: ethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-(methylamino)pentanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoate
MOLECULAR FORMULA: C43H71N11O7
MOLECULAR WEIGHT: 854.09334
SMILES: CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC
Structure:
CAS RN: 125591-32-4
CAS Name: 1-(3,4-dihydro-2H-1-benzopyran-2-yl)-2-[[2-(3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyethyl]amino]ethanol
OPENEYE Name: 1-chroman-2-yl-2-[(2-chroman-2-yl-2-hydroxy-ethyl)amino]ethanol
IUPAC Name: 1-(3,4-dihydro-2H-chromen-2-yl)-2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol
SYSTEMATIC NAME: 1-(3,4-dihydro-2H-chromen-2-yl)-2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-oxidanyl-ethyl]amino]ethanol
MOLECULAR FORMULA: C22H27NO4
MOLECULAR WEIGHT: 369.45408
SMILES: C1CC2=CC=CC=C2OC1C(CNCC(C3CCC4=CC=CC=C4O3)O)O
Structure:
CAS RN: 125558-31-8
CAS Name: 3-bromo-N-[(2-hydroxy-5-oxo-2-pyrrolidinyl)methyl]-2,6-dimethoxybenzamide
OPENEYE Name: 3-bromo-N-[(2-hydroxy-5-oxo-pyrrolidin-2-yl)methyl]-2,6-dimethoxy-benzamide
IUPAC Name: 3-bromo-N-[(2-hydroxy-5-oxopyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide
SYSTEMATIC NAME: 3-bromanyl-2,6-dimethoxy-N-[(2-oxidanyl-5-oxidanylidene-pyrrolidin-2-yl)methyl]benzamide
MOLECULAR FORMULA: C14H17BrN2O5
MOLECULAR WEIGHT: 373.19918
SMILES: COC1=C(C(=C(C=C1)Br)OC)C(=O)NCC2(CCC(=O)N2)O
Structure:
CAS RN: 125518-46-9
CAS Name: 5-(2-naphthalenylsulfonyl)thiazolidine-2,4-dione
OPENEYE Name: 5-(2-naphthylsulfonyl)thiazolidine-2,4-dione
IUPAC Name: 5-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 5-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C13H9NO4S2
MOLECULAR WEIGHT: 307.34486
SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)C3C(=O)NC(=O)S3
Structure:
CAS RN: 16964-21-9
CAS Name: 1,2-bis(6-methoxy-1H-benzimidazol-2-yl)ethane-1,2-diol
OPENEYE Name: 1,2-bis(6-methoxy-1H-benzimidazol-2-yl)ethane-1,2-diol
IUPAC Name: 1,2-bis(6-methoxy-1H-benzimidazol-2-yl)ethane-1,2-diol
SYSTEMATIC NAME: 1,2-bis(6-methoxy-1H-benzimidazol-2-yl)ethane-1,2-diol
MOLECULAR FORMULA: C18H18N4O4
MOLECULAR WEIGHT: 354.35992
SMILES: COC1=CC2=C(C=C1)N=C(N2)C(C(C3=NC4=C(N3)C=C(C=C4)OC)O)O
Structure:
CAS RN: 16958-95-5
CAS Name: [(2S,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxy-7-oxo-8-phosphonooxyoctyl] dihydrogen phosphate
OPENEYE Name: [(2S,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxy-7-oxo-8-phosphonooxy-octyl] dihydrogen phosphate
IUPAC Name: [(2S,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxy-7-oxo-8-phosphonooxyoctyl] dihydrogen phosphate
SYSTEMATIC NAME: [(2S,3R,4R,5R,6S)-2,3,4,5,6-pentakis(oxidanyl)-7-oxidanylidene-8-phosphonooxy-octyl] dihydrogen phosphate
MOLECULAR FORMULA: C8H18O14P2
MOLECULAR WEIGHT: 400.167642
SMILES: C([C@@H]([C@H]([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)O)O)OP(=O)(O)O
Structure:
CAS RN: 16655-75-7
CAS Name: (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid
OPENEYE Name: (2S,4S,5R,6R)-5-acetamido-4-acetoxy-2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
MOLECULAR FORMULA: C13H21NO10
MOLECULAR WEIGHT: 351.30654
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)OC(=O)C
Structure:
CAS RN: 100772-18-7
CAS Name: (4R)-4-[(8S,9S,13R,14S,17R)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
OPENEYE Name: (4R)-4-[(8S,9S,13R,14S,17R)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC Name: (4R)-4-[(8S,9S,13R,14S,17R)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(8S,9S,13R,14S,17R)-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C23H32O3
MOLECULAR WEIGHT: 356.49838
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C
Structure:
CAS RN: 100754-69-6
CAS Name: 2-(4-morpholinylmethyl)-1-(2,3,4-trimethoxyphenyl)-2-propen-1-one
OPENEYE Name: 2-(morpholinomethyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
IUPAC Name: 2-(morpholin-4-ylmethyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: 2-(morpholin-4-ylmethyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C17H23NO5
MOLECULAR WEIGHT: 321.36822
SMILES: COC1=C(C(=C(C=C1)C(=O)C(=C)CN2CCOCC2)OC)OC
Structure:
CAS RN: 100682-44-8
CAS Name: 9-[(2-methyl-4-methylene-5-oxo-2-oxolanyl)methyl]-3H-purin-6-one
OPENEYE Name: 9-[(2-methyl-4-methylene-5-oxo-tetrahydrofuran-2-yl)methyl]-3H-purin-6-one
IUPAC Name: 9-[(2-methyl-4-methylidene-5-oxooxolan-2-yl)methyl]-3H-purin-6-one
SYSTEMATIC NAME: 9-[(2-methyl-4-methylidene-5-oxidanylidene-oxolan-2-yl)methyl]-3H-purin-6-one
MOLECULAR FORMULA: C12H12N4O3
MOLECULAR WEIGHT: 260.24868
SMILES: CC1(CC(=C)C(=O)O1)CN2C=NC3=C2NC=NC3=O
Structure:
CAS RN: 125518-25-4
CAS Name: 2-[bis(2-chloroethyl)amino]-2-[4-[4-[1-[bis(2-chloroethyl)amino]-2-oxoethyl]phenyl]phenyl]acetaldehyde
OPENEYE Name: 2-[bis(2-chloroethyl)amino]-2-[4-[4-[1-[bis(2-chloroethyl)amino]-2-oxo-ethyl]phenyl]phenyl]acetaldehyde
IUPAC Name: 2-[bis(2-chloroethyl)amino]-2-[4-[4-[1-[bis(2-chloroethyl)amino]-2-oxoethyl]phenyl]phenyl]acetaldehyde
SYSTEMATIC NAME: 2-[bis(2-chloroethyl)amino]-2-[4-[4-[1-[bis(2-chloroethyl)amino]-2-oxidanylidene-ethyl]phenyl]phenyl]ethanal
MOLECULAR FORMULA: C24H28Cl4N2O2
MOLECULAR WEIGHT: 518.30332
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)C(C=O)N(CCCl)CCCl)C(C=O)N(CCCl)CCCl
Structure:
CAS RN: 125509-89-9
CAS Name: 2-(4-amino-4-carboxybutyl)-2-aziridinecarboxylic acid
OPENEYE Name: 2-(4-amino-4-carboxy-butyl)aziridine-2-carboxylic acid
IUPAC Name: 2-(4-amino-4-carboxybutyl)aziridine-2-carboxylic acid
SYSTEMATIC NAME: 2-(4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl)aziridine-2-carboxylic acid
MOLECULAR FORMULA: C8H14N2O4
MOLECULAR WEIGHT: 202.20776
SMILES: C1C(N1)(CCCC(C(=O)O)N)C(=O)O
Structure:
CAS RN: 125488-70-2
CAS Name: 4,5-bis[[2-(1-ethoxyethylthio)-1-oxoethyl]amino]pentanoic acid (2,3,5,6-tetrafluorophenyl) ester
OPENEYE Name: (2,3,5,6-tetrafluorophenyl) 4,5-bis[[2-(1-ethoxyethylsulfanyl)acetyl]amino]pentanoate
IUPAC Name: (2,3,5,6-tetrafluorophenyl) 4,5-bis[[2-(1-ethoxyethylsulfanyl)acetyl]amino]pentanoate
SYSTEMATIC NAME: [2,3,5,6-tetrakis(fluoranyl)phenyl] 4,5-bis[2-(1-ethoxyethylsulfanyl)ethanoylamino]pentanoate
MOLECULAR FORMULA: C23H32F4N2O6S2
MOLECULAR WEIGHT: 572.633593
SMILES: CCOC(C)SCC(=O)NCC(CCC(=O)OC1=C(C(=CC(=C1F)F)F)F)NC(=O)CSC(C)OCC
Structure:
CAS RN: 125483-62-7
CAS Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)-1-oxobutyl]amino]-4-methylpentanoic acid
OPENEYE Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]amino]-4-methyl-pentanoic acid
IUPAC Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S,3R)-3-azanyl-4-(4-methylsulfonylphenyl)-2-oxidanyl-butanoyl]amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C17H26N2O6S
MOLECULAR WEIGHT: 386.46314
SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](CC1=CC=C(C=C1)S(=O)(=O)C)N)O
Structure:
CAS RN: 125483-43-4
CAS Name: 1-[[(2S,3R)-3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)-1-oxobutyl]amino]-1-cyclopentanecarboxylic acid
OPENEYE Name: 1-[[(2S,3R)-3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]amino]cyclopentanecarboxylic acid
IUPAC Name: 1-[[(2S,3R)-3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]amino]cyclopentane-1-carboxylic acid
SYSTEMATIC NAME: 1-[[(2S,3R)-3-azanyl-4-(4-methylsulfonylphenyl)-2-oxidanyl-butanoyl]amino]cyclopentane-1-carboxylic acid
MOLECULAR FORMULA: C17H24N2O6S
MOLECULAR WEIGHT: 384.44726
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C[C@H]([C@@H](C(=O)NC2(CCCC2)C(=O)O)O)N
Structure:
CAS RN: 125472-06-2
CAS Name: benzoic acid 1-[(3S,5S,8R,9S,10S,12R,13S,14S,17R)-12-acetyloxy-3,14,17-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl ester
OPENEYE Name: 1-[(3S,5S,8R,9S,10S,12R,13S,14S,17R)-12-acetoxy-3,14,17-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl benzoate
IUPAC Name: 1-[(3S,5S,8R,9S,10S,12R,13S,14S,17R)-12-acetyloxy-3,14,17-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl benzoate
SYSTEMATIC NAME: 1-[(3S,5S,8R,9S,10S,12R,13S,14S,17R)-12-acetyloxy-10,13-dimethyl-3,14,17-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl benzoate
MOLECULAR FORMULA: C30H42O7
MOLECULAR WEIGHT: 514.65028
SMILES: CC([C@]1(CC[C@]2([C@@]1([C@@H](C[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)OC(=O)C)C)O)O)OC(=O)C5=CC=CC=C5
Structure:
CAS RN: 125464-46-2
CAS Name: (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-carboxy-1-oxopropyl]amino]-1-oxoethyl]amino]hexanoic acid
OPENEYE Name: (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-carboxy-propanoyl]amino]acetyl]amino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]hexanoic acid
MOLECULAR FORMULA: C19H32N6O11
MOLECULAR WEIGHT: 520.49098
SMILES: C(CCN)C[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N
Structure:
CAS RN: 125440-27-9
CAS Name: phosphoric acid bis[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl] (4-methylsulfonylphenyl) ester
OPENEYE Name: bis[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl] (4-methylsulfonylphenyl) phosphate
IUPAC Name: bis[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl] (4-methylsulfonylphenyl) phosphate
SYSTEMATIC NAME: bis[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl] (4-methylsulfonylphenyl) phosphate
MOLECULAR FORMULA: C23H27N10O10PS
MOLECULAR WEIGHT: 666.560241
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OP(=O)(OCCOCN2C=NC3=C2NC(=NC3=O)N)OCCOCN4C=NC5=C4NC(=NC5=O)N
Structure:
CAS RN: 6283-07-4
CAS Name: ethylselenonylbenzene
OPENEYE Name: ethylselenonylbenzene
IUPAC Name: ethylselenonylbenzene
SYSTEMATIC NAME: ethylselenonylbenzene
MOLECULAR FORMULA: C8H10O2Se
MOLECULAR WEIGHT: 217.1238
SMILES: CC[Se](=O)(=O)C1=CC=CC=C1
Structure:
CAS RN: 125419-41-2
CAS Name: [7-(diethylamino)-4-methyl-1-benzopyran-2-ylidene]-(phenylmethyl)ammonium
OPENEYE Name: benzyl-[7-(diethylamino)-4-methyl-chromen-2-ylidene]ammonium
IUPAC Name: benzyl-[7-(diethylamino)-4-methylchromen-2-ylidene]azanium
SYSTEMATIC NAME: [7-(diethylamino)-4-methyl-chromen-2-ylidene]-(phenylmethyl)azanium
MOLECULAR FORMULA: C21H25N2O+
MOLECULAR WEIGHT: 321.436
SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=[NH+]CC3=CC=CC=C3)O2)C
Structure:
CAS RN: 125412-71-7
CAS Name: (4R,5R,6R)-3-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (4R,5R,6R)-3-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (4R,5R,6R)-3-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (4R,5R,6R)-3-(5-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C17H15ClN2O6
MOLECULAR WEIGHT: 378.7638
SMILES: C[C@@H]1[C@@H]2[C@@H](C(=O)N2C(=C1N3C4=C(C=CC(=C4)Cl)OC3=O)C(=O)O)[C@@H](C)O
Structure:
CAS RN: 125412-00-2
CAS Name: (2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-4-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C13H24O11
MOLECULAR WEIGHT: 356.32306
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O
Structure:
CAS RN: 125409-60-1
CAS Name: (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(10R,12S,13S,14R,17S)-12-hydroxy-17-[(2S)-5-hydroxy-6-methyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hept-6-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,
OPENEYE Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(10R,12S,13S,14R,17S)-12-hydroxy-17-[(1S)-4-hydroxy-1,5-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hex-5-enyl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,
IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(10R,12S,13S,14R,17S)-12-hydroxy-17-[(2S)-5-hydroxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-6-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-
SYSTEMATIC NAME: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[[(10R,12S,13S,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-5-oxidanyl-hept-6-en-2-yl]-4,4,10,14-tetramethyl-12-oxidanyl-1,2,3
MOLECULAR FORMULA: C47H80O19
MOLECULAR WEIGHT: 949.1267
SMILES: CC(=C)C(CC[C@@](C)([C@H]1CC[C@]2([C@H]1[C@H](CC3C2CCC4[C@@]3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O
Structure:
CAS RN: 125409-47-4
CAS Name: (1S,2R,3R,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3-(hydroxymethyl)-1-cyclopentanol
OPENEYE Name: (1S,2R,3R,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3-(hydroxymethyl)cyclopentanol
IUPAC Name: (1S,2R,3R,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3-(hydroxymethyl)cyclopentan-1-ol
SYSTEMATIC NAME: (1S,2R,3R,5R)-5-(6-aminopurin-9-yl)-2-fluoranyl-3-(hydroxymethyl)cyclopentan-1-ol
MOLECULAR FORMULA: C11H14FN5O2
MOLECULAR WEIGHT: 267.259563
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C2N=CN=C3N)O)F)CO
Structure:
CAS RN: 125387-12-4
CAS Name: disodium (2S)-2-[[[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]-oxomethyl]amino]pentanedioate
OPENEYE Name: disodium (2S)-2-[[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-4-carbonyl]amino]pentanedioate
IUPAC Name: disodium (2S)-2-[[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-4-carbonyl]amino]pentanedioate
SYSTEMATIC NAME: disodium (2S)-2-[[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C19H24N2Na2O9
MOLECULAR WEIGHT: 470.3814
SMILES: CCOC(=O)C1=C(NC(=C(C1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)OCC)C)C.[Na+].[Na+]
Structure:
CAS RN: 125375-99-7
CAS Name: 9-chloro-7,8-diethyl-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
OPENEYE Name: 9-chloro-7,8-diethyl-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
IUPAC Name: 9-chloro-7,8-diethyl-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
SYSTEMATIC NAME: 9-chloranyl-7,8-diethyl-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
MOLECULAR FORMULA: C21H25ClN2O2
MOLECULAR WEIGHT: 372.8884
SMILES: CCC1=C(C(=C2CCN(CC(C2=C1)C3=CC=C(C=C3)O)C(=O)N)Cl)CC
Structure:
CAS RN: 125375-79-3
CAS Name: N-ethylcarbamic acid [4-[(5R)-9-chloro-7,8-bis(ethylcarbamoyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenyl] ester hydrochloride
OPENEYE Name: [4-[(5R)-9-chloro-7,8-bis(ethylcarbamoyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenyl] N-ethylcarbamate hydrochloride
IUPAC Name: [4-[(5R)-9-chloro-7,8-bis(ethylcarbamoyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenyl] N-ethylcarbamate hydrochloride
SYSTEMATIC NAME: [4-[(5R)-9-chloranyl-7,8-bis(ethylcarbamoyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenyl] N-ethylcarbamate hydrochloride
MOLECULAR FORMULA: C25H32Cl2N4O6
MOLECULAR WEIGHT: 555.45078
SMILES: CCNC(=O)OC1=CC=C(C=C1)[C@H]2CNCCC3=C(C(=C(C=C23)OC(=O)NCC)OC(=O)NCC)Cl.Cl
Structure:
CAS RN: 125366-29-2
CAS Name: 4-fluorosulfonylbenzoic acid [(2R,3S,4R,5R)-5-(6-amino-8-azido-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl ester
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-amino-8-azido-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 4-fluorosulfonylbenzoate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-amino-8-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-fluorosulfonylbenzoate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-azanyl-8-azido-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-fluorosulfonylbenzoate
MOLECULAR FORMULA: C17H15FN8O7S
MOLECULAR WEIGHT: 494.413803
SMILES: C1=CC(=CC=C1C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=NC=N4)N)N=C3N=[N+]=[N-])O)O)S(=O)(=O)F
Structure:
CAS RN: 125363-72-6
CAS Name: 6-hydroxy-1,2-dihydrocyclobuta[a]naphthalene-2-carboxylic acid
OPENEYE Name: 6-hydroxy-1,2-dihydrocyclobuta[a]naphthalene-2-carboxylic acid
IUPAC Name: 6-hydroxy-1,2-dihydrocyclobuta[a]naphthalene-2-carboxylic acid
SYSTEMATIC NAME: 6-oxidanyl-1,2-dihydrocyclobuta[a]naphthalene-2-carboxylic acid
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: C1C(C2=C1C3=C(C=C2)C=C(C=C3)O)C(=O)O
Structure:
CAS RN: 125363-06-6
CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxamide
OPENEYE Name: 2-chloro-N-quinuclidin-3-yl-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxamide
IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxamide
SYSTEMATIC NAME: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloranyl-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxamide
MOLECULAR FORMULA: C20H25ClN2O2
MOLECULAR WEIGHT: 360.8777
SMILES: C1CCC2C(C1)C3=C(O2)C(=CC(=C3)Cl)C(=O)NC4CN5CCC4CC5
Structure:
CAS RN: 136174-04-4
CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxamide
OPENEYE Name: 2-chloro-N-quinuclidin-3-yl-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxamide
IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxamide
SYSTEMATIC NAME: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloranyl-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxamide
MOLECULAR FORMULA: C20H25ClN2O2
MOLECULAR WEIGHT: 360.8777
SMILES: C1CCC2C(C1)C3=C(O2)C(=CC(=C3)Cl)C(=O)NC4CN5CCC4CC5
Structure:
CAS RN: 118189-68-7
CAS Name: [(1R,2S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopentyl]methanol
OPENEYE Name: [(1R,2S,4R)-4-(6-aminopurin-9-yl)-2-fluoro-cyclopentyl]methanol
IUPAC Name: [(1R,2S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopentyl]methanol
SYSTEMATIC NAME: [(1R,2S,4R)-4-(6-aminopurin-9-yl)-2-fluoranyl-cyclopentyl]methanol
MOLECULAR FORMULA: C11H14FN5O
MOLECULAR WEIGHT: 251.260163
SMILES: C1[C@H](C[C@@H]([C@H]1CO)F)N2C=NC3=C2N=CN=C3N
Structure:
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