CAS RN: 140866-76-8
CAS Name: 4-nitrobenzoic acid 6-[3,6-bis(dimethylamino)-10-acridin-10-iumyl]hexyl ester chloride
OPENEYE Name: 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexyl 4-nitrobenzoate chloride
IUPAC Name: 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexyl 4-nitrobenzoate chloride
SYSTEMATIC NAME: 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexyl 4-nitrobenzoate chloride
MOLECULAR FORMULA: C30H35ClN4O4
MOLECULAR WEIGHT: 551.0763
SMILES: CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=[N+]2CCCCCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-])N(C)C.[Cl-]
Structure:
CAS RN: 140865-90-3
CAS Name: 7-oxo-5-benzo[c]fluorenecarboxylic acid 3-(dimethylamino)propyl ester dihydrochloride
OPENEYE Name: 3-(dimethylamino)propyl 7-oxobenzo[c]fluorene-5-carboxylate dihydrochloride
IUPAC Name: 3-(dimethylamino)propyl 7-oxobenzo[c]fluorene-5-carboxylate dihydrochloride
SYSTEMATIC NAME: 3-(dimethylamino)propyl 7-oxidanylidenebenzo[c]fluorene-5-carboxylate dihydrochloride
MOLECULAR FORMULA: C23H23Cl2NO3
MOLECULAR WEIGHT: 432.33962
SMILES: CN(C)CCCOC(=O)C1=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4C2=O.Cl.Cl
Structure:
CAS RN: 140848-65-3
CAS Name: N,N-dipropyl-5,6,7,8-tetrahydroindolizin-7-amine
OPENEYE Name: N,N-dipropyl-5,6,7,8-tetrahydroindolizin-7-amine
IUPAC Name: N,N-dipropyl-5,6,7,8-tetrahydroindolizin-7-amine
SYSTEMATIC NAME: N,N-dipropyl-5,6,7,8-tetrahydroindolizin-7-amine
MOLECULAR FORMULA: C14H24N2
MOLECULAR WEIGHT: 220.35376
SMILES: CCCN(CCC)C1CCN2C=CC=C2C1
Structure:
CAS RN: 140841-32-3
CAS Name: 6-[[3-fluoro-5-(4-methoxy-4-oxanyl)phenoxy]methyl]-1-methyl-2-quinolinone
OPENEYE Name: 6-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxy]methyl]-1-methyl-quinolin-2-one
IUPAC Name: 6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one
SYSTEMATIC NAME: 6-[[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methyl-quinolin-2-one
MOLECULAR FORMULA: C23H24FNO4
MOLECULAR WEIGHT: 397.439363
SMILES: CN1C2=C(C=CC1=O)C=C(C=C2)COC3=CC(=CC(=C3)C4(CCOCC4)OC)F
Structure:
CAS RN: 140834-55-5
CAS Name: 2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetic acid methyl ester hydrochloride
OPENEYE Name: methyl 2-[4-[2-[(2-hydroxy-3-phenoxy-propyl)amino]ethoxy]phenoxy]acetate hydrochloride
IUPAC Name: methyl 2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetate hydrochloride
SYSTEMATIC NAME: methyl 2-[4-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]ethoxy]phenoxy]ethanoate hydrochloride
MOLECULAR FORMULA: C20H26ClNO6
MOLECULAR WEIGHT: 411.87654
SMILES: COC(=O)COC1=CC=C(C=C1)OCCNCC(COC2=CC=CC=C2)O.Cl
Structure:
CAS RN: 140695-21-2
CAS Name: 2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-1-[2-[[5-(methylaminomethyl)-2-furanyl]methylthio]ethyl]-3-methylsulfonylguanidine
OPENEYE Name: 2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-1-[2-[[5-(methylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-3-methylsulfonyl-guanidine
IUPAC Name: 2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-1-[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-3-methylsulfonylguanidine
SYSTEMATIC NAME: 2-[2-(4-hydroxyphenyl)-2-oxidanyl-ethyl]-1-[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-3-methylsulfonyl-guanidine
MOLECULAR FORMULA: C19H28N4O5S2
MOLECULAR WEIGHT: 456.57942
SMILES: CNCC1=CC=C(O1)CSCCNC(=NCC(C2=CC=C(C=C2)O)O)NS(=O)(=O)C
Structure:
CAS RN: 140687-51-0
CAS Name: 4-[2-(hydroxymethyl)-4-pyrimidinyl]-N,N-dimethyl-1-piperazinesulfonamide
OPENEYE Name: 4-[2-(hydroxymethyl)pyrimidin-4-yl]-N,N-dimethyl-piperazine-1-sulfonamide
IUPAC Name: 4-[2-(hydroxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide
SYSTEMATIC NAME: 4-[2-(hydroxymethyl)pyrimidin-4-yl]-N,N-dimethyl-piperazine-1-sulfonamide
MOLECULAR FORMULA: C11H19N5O3S
MOLECULAR WEIGHT: 301.36526
SMILES: CN(C)S(=O)(=O)N1CCN(CC1)C2=NC(=NC=C2)CO
Structure:
CAS RN: 140686-60-8
CAS Name: (2S,3S,4R,5S)-5-acetamido-3-[[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-hydroxy-6-[4-[(2,2,2-trifluoro-1-oxoethyl)amino]phenoxy]-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4R,5S)-5-acetamido-3-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-[4-[(2,2,2-trifluoroacetyl)amino]phenoxy]tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4R,5S)-5-acetamido-3-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[4-[(2,2,2-trifluoroacetyl)amino]phenoxy]oxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4R,5S)-5-acetamido-3-[(3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-6-[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenoxy]oxane-2-carboxylic acid
MOLECULAR FORMULA: C24H30F3N3O13
MOLECULAR WEIGHT: 625.50251
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O[C@H]2[C@@H]([C@@H](C(O[C@@H]2C(=O)O)OC3=CC=C(C=C3)NC(=O)C(F)(F)F)NC(=O)C)O)CO)O)O
Structure:
CAS RN: 140681-91-0
CAS Name: (2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-4-methylpentanoic acid
OPENEYE Name: (2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoic acid
IUPAC Name: (2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C21H39N5O7
MOLECULAR WEIGHT: 473.56366
SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)N
Structure:
CAS RN: 140676-68-2
CAS Name: 2-[[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-[1]benzopyrano[4,3-c]pyridin-10-yl]oxy]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[[8-[4-(4-fluorophenyl)-1-methyl-butyl]-5,5-dimethyl-2-[2-(methylamino)-2-oxo-ethyl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]oxy]acetate
IUPAC Name: ethyl 2-[[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]oxy]acetate
SYSTEMATIC NAME: ethyl 2-[[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-[2-(methylamino)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]oxy]ethanoate
MOLECULAR FORMULA: C32H41FN2O5
MOLECULAR WEIGHT: 552.676743
SMILES: CCOC(=O)COC1=CC(=CC2=C1C3=C(CCN(C3)CC(=O)NC)C(O2)(C)C)C(C)CCCC4=CC=C(C=C4)F
Structure:
CAS RN: 140670-90-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H18O3
MOLECULAR WEIGHT: 282.33372
SMILES: CC1=C(C=C2C=C3[C@@H](CC(=O)C2=C1)C(C=CC3=O)(C)C)O
Structure:
CAS RN: 140638-26-2
CAS Name: 3-[2-methyl-1-[[[2-[2-[2-(oxidoamino)-2-oxoethyl]-1-oxohexyl]-3-diazinanyl]-oxomethyl]amino]butyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-9-ium-5-carboxylic acid
OPENEYE Name: 3-[2-methyl-1-[[2-[2-[2-(oxidoamino)-2-oxo-ethyl]hexanoyl]hexahydropyridazine-3-carbonyl]amino]butyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-9-ium-5-carboxylic acid
IUPAC Name: 3-[2-methyl-1-[[2-[2-[2-(oxidoamino)-2-oxoethyl]hexanoyl]diazinane-3-carbonyl]amino]butyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-9-ium-5-carboxylic acid
SYSTEMATIC NAME: 3-[2-methyl-1-[[2-[2-[2-(oxidanidylamino)-2-oxidanylidene-ethyl]hexanoyl]-1,2-diazinan-3-yl]carbonylamino]butyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-9-ium-5-carboxylic acid
MOLECULAR FORMULA: C26H42N6O6
MOLECULAR WEIGHT: 534.64828
SMILES: CCCCC(CC(=O)N[O-])C(=O)N1C(CCCN1)C(=O)NC(C2=CC=[N+]3N2C(CCC3)C(=O)O)C(C)CC
Structure:
CAS RN: 140626-94-4
CAS Name: (2R)-2-acetamido-3-[[4-[[[2-[2-[2-(hydroxyamino)-2-oxoethyl]-1-oxoheptyl]-3-diazinanyl]-oxomethyl]amino]-5-methyl-3-oxoheptyl]thio]propanoic acid
OPENEYE Name: (2R)-2-acetamido-3-[4-[[2-[2-[2-(hydroxyamino)-2-oxo-ethyl]heptanoyl]hexahydropyridazine-3-carbonyl]amino]-5-methyl-3-oxo-heptyl]sulfanyl-propanoic acid
IUPAC Name: (2R)-2-acetamido-3-[4-[[2-[2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]diazinane-3-carbonyl]amino]-5-methyl-3-oxoheptyl]sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-acetamido-3-[5-methyl-4-[[2-[2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-1,2-diazinan-3-yl]carbonylamino]-3-oxidanylidene-heptyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C27H47N5O8S
MOLECULAR WEIGHT: 601.75578
SMILES: CCCCCC(CC(=O)NO)C(=O)N1C(CCCN1)C(=O)NC(C(C)CC)C(=O)CCSC[C@@H](C(=O)O)NC(=O)C
Structure:
CAS RN: 140485-27-4
CAS Name: 5-azido-N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]-1-naphthalenesulfonamide
OPENEYE Name: 5-azido-N-[(1R,2R,3R,4R)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]naphthalene-1-sulfonamide
IUPAC Name: 5-azido-N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]naphthalene-1-sulfonamide
SYSTEMATIC NAME: 5-azido-N-[(2R,3R,4R,5R)-3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl]naphthalene-1-sulfonamide
MOLECULAR FORMULA: C16H18N4O7S
MOLECULAR WEIGHT: 410.40172
SMILES: C1=CC2=C(C=CC=C2S(=O)(=O)N[C@@H](C=O)[C@H]([C@H]([C@@H](CO)O)O)O)C(=C1)N=[N+]=[N-]
Structure:
CAS RN: 140475-22-5
CAS Name: N-[(4-fluorophenyl)methyl]-2-(2-nitro-1-imidazolyl)acetamide
OPENEYE Name: N-[(4-fluorophenyl)methyl]-2-(2-nitroimidazol-1-yl)acetamide
IUPAC Name: N-[(4-fluorophenyl)methyl]-2-(2-nitroimidazol-1-yl)acetamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-2-(2-nitroimidazol-1-yl)ethanamide
MOLECULAR FORMULA: C12H11FN4O3
MOLECULAR WEIGHT: 278.239143
SMILES: C1=CC(=CC=C1CNC(=O)CN2C=CN=C2[N+](=O)[O-])F
Structure:
CAS RN: 140466-18-8
CAS Name: (2-methoxycarbonyl-3-tetradecoxyphenyl) [3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl] phosphate
OPENEYE Name: (2-methoxycarbonyl-3-tetradecoxy-phenyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] phosphate
IUPAC Name: (2-methoxycarbonyl-3-tetradecoxyphenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] phosphate
SYSTEMATIC NAME: (2-methoxycarbonyl-3-tetradecoxy-phenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] phosphate
MOLECULAR FORMULA: C33H46NO7PS
MOLECULAR WEIGHT: 631.759601
SMILES: CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)([O-])OC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(=O)OC
Structure:
CAS RN: 140457-22-3
CAS Name: (3S)-3-[[2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
OPENEYE Name: (3S)-3-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[[(1S)-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-[2-[[(2S)-2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-buta
MOLECULAR FORMULA: C26H39N9O11
MOLECULAR WEIGHT: 653.64156
SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)O
Structure:
CAS RN: 140448-30-2
CAS Name: N-methoxy-2-(2-nitro-1-imidazolyl)acetamide
OPENEYE Name: N-methoxy-2-(2-nitroimidazol-1-yl)acetamide
IUPAC Name: N-methoxy-2-(2-nitroimidazol-1-yl)acetamide
SYSTEMATIC NAME: N-methoxy-2-(2-nitroimidazol-1-yl)ethanamide
MOLECULAR FORMULA: C6H8N4O4
MOLECULAR WEIGHT: 200.15212
SMILES: CONC(=O)CN1C=CN=C1[N+](=O)[O-]
Structure:
CAS RN: 140448-22-2
CAS Name: N-[4-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]phenyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carboxamide
OPENEYE Name: N-[4-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyphenyl]-6-hydroxy-2,5,7,8-tetramethyl-chromane-2-carboxamide
IUPAC Name: N-[4-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SYSTEMATIC NAME: N-[4-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxyphenyl]-2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromene-2-carboxamide
MOLECULAR FORMULA: C32H43NO14
MOLECULAR WEIGHT: 665.68212
SMILES: CC1=C(C(=C2CCC(OC2=C1C)(C)C(=O)NC3=CC=C(C=C3)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)C)O
Structure:
CAS RN: 140446-67-9
CAS Name: [3-[oxo-(2-phenylanilino)methyl]-2-naphthalenyl] dihydrogen phosphate
OPENEYE Name: [3-[(2-phenylphenyl)carbamoyl]-2-naphthyl] dihydrogen phosphate
IUPAC Name: [3-[(2-phenylphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
SYSTEMATIC NAME: [3-[(2-phenylphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
MOLECULAR FORMULA: C23H18NO5P
MOLECULAR WEIGHT: 419.366481
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4C=C3OP(=O)(O)O
Structure:
CAS RN: 140410-01-1
CAS Name: (2S)-2-[[oxo-[4-[(4-oxo-1H-1,2,3-benzotriazin-6-yl)methylamino]phenyl]methyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[(4-oxo-1H-1,2,3-benzotriazin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[(4-oxo-1H-1,2,3-benzotriazin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[(4-oxidanylidene-1H-1,2,3-benzotriazin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H19N5O6
MOLECULAR WEIGHT: 425.39476
SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CC3=C(C=C2)NN=NC3=O
Structure:
CAS RN: 140400-20-0
CAS Name: 4-[[2-[(1-carboxy-3-phenylpropyl)amino]-1-oxo-3-phenylpropyl]amino]benzoic acid
OPENEYE Name: 4-[[2-[(1-carboxy-3-phenyl-propyl)amino]-3-phenyl-propanoyl]amino]benzoic acid
IUPAC Name: 4-[[2-[(1-carboxy-3-phenylpropyl)amino]-3-phenylpropanoyl]amino]benzoic acid
SYSTEMATIC NAME: 4-[[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-3-phenyl-propanoyl]amino]benzoic acid
MOLECULAR FORMULA: C26H26N2O5
MOLECULAR WEIGHT: 446.49504
SMILES: C1=CC=C(C=C1)CCC(C(=O)O)NC(CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O
Structure:
CAS RN: 140369-78-4
CAS Name: (2R)-2-[(2S)-3-mercapto-2-methyl-1-oxopropoxy]-3-(methylthio)propanoic acid
OPENEYE Name: (2R)-3-methylsulfanyl-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]oxy-propanoic acid
IUPAC Name: (2R)-3-methylsulfanyl-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxypropanoic acid
SYSTEMATIC NAME: (2R)-3-methylsulfanyl-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]oxy-propanoic acid
MOLECULAR FORMULA: C8H14O4S2
MOLECULAR WEIGHT: 238.32436
SMILES: C[C@H](CS)C(=O)O[C@@H](CSC)C(=O)O
Structure:
CAS RN: 140364-79-0
CAS Name: (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aS,14bR)-10-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dod
OPENEYE Name: O2-methyl O4a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aS,14bR)-10-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyra
IUPAC Name: 2-O-methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aS,14bR)-10-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-9-(hydroxy
SYSTEMATIC NAME: O4a-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] O2-methyl (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aS,14bR)-9-(hydroxymethyl)-10-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-
MOLECULAR FORMULA: C48H74O22
MOLECULAR WEIGHT: 1003.08796
SMILES: C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C)C)[C@H]2C1)C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C(=O)OC
Structure:
CAS RN: 140233-60-9
CAS Name: (2S)-2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid
OPENEYE Name: (2S)-2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid
IUPAC Name: (2S)-2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[4-(2-hydroxy-2-oxoethyl)phenyl]propanoic acid
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)N)CC(=O)O
Structure:
CAS RN: 140231-40-9
CAS Name: (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aS,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid
OPENEYE Name: (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aS,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid
IUPAC Name: (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aS,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid
SYSTEMATIC NAME: (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aS,14bR)-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-10,11-bis(oxidanyl)-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid
MOLECULAR FORMULA: C31H46O8
MOLECULAR WEIGHT: 546.69214
SMILES: C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)OC
Structure:
CAS RN: 140226-30-8
CAS Name: (2R)-2-acetamido-3-(3-oxopropylthio)propanoic acid
OPENEYE Name: (2R)-2-acetamido-3-(3-oxopropylsulfanyl)propanoic acid
IUPAC Name: (2R)-2-acetamido-3-(3-oxopropylsulfanyl)propanoic acid
SYSTEMATIC NAME: (2R)-2-acetamido-3-(3-oxidanylidenepropylsulfanyl)propanoic acid
MOLECULAR FORMULA: C8H13NO4S
MOLECULAR WEIGHT: 219.25812
SMILES: CC(=O)N[C@@H](CSCCC=O)C(=O)O
Structure:
CAS RN: 140221-50-7
CAS Name: 1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone
OPENEYE Name: 1-[3-(dipropylamino)tetralin-5-yl]ethanone
IUPAC Name: 1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone
SYSTEMATIC NAME: 1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone
MOLECULAR FORMULA: C18H27NO
MOLECULAR WEIGHT: 273.41308
SMILES: CCCN(CCC)C1CCC2=CC=CC(=C2C1)C(=O)C
Structure:
CAS RN: 140147-36-0
CAS Name: (2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-octoxy-4-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-octoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-octoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5S,6R)-4-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-octoxy-3,5-bis(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C26H48O16
MOLECULAR WEIGHT: 616.64972
SMILES: CCCCCCCCO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
Structure:
CAS RN: 140147-34-8
CAS Name: (3S,5S,8R,9S,10S,13R,16R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
OPENEYE Name: (3S,5S,8R,9S,10S,13R,16R,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
IUPAC Name: (3S,5S,8R,9S,10S,13R,16R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
SYSTEMATIC NAME: (3S,5S,8R,9S,10S,13R,16R,17R)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
MOLECULAR FORMULA: C29H50O2
MOLECULAR WEIGHT: 430.7061
SMILES: CC[C@@H](CC[C@@H](C)[C@H]1[C@@H](C=C2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O)C(C)C
Structure:
CAS RN: 140129-67-5
CAS Name: 2-ethoxy-3-[2-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-5-benzofuranyl]propanoic acid
OPENEYE Name: 2-ethoxy-3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]propanoic acid
IUPAC Name: 2-ethoxy-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid
SYSTEMATIC NAME: 2-ethoxy-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid
MOLECULAR FORMULA: C24H23NO5
MOLECULAR WEIGHT: 405.44312
SMILES: CCOC(CC1=CC2=C(C=C1)OC(=C2)CC3=C(OC(=N3)C4=CC=CC=C4)C)C(=O)O
Structure:
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