CAS RN: 132861-77-9
CAS Name: 15-tetracosynoic acid
OPENEYE Name: tetracos-15-ynoic acid
IUPAC Name: tetracos-15-ynoic acid
SYSTEMATIC NAME: tetracos-15-ynoic acid
MOLECULAR FORMULA: C24H44O2
MOLECULAR WEIGHT: 364.60496
SMILES: CCCCCCCCC#CCCCCCCCCCCCCCC(=O)O
Structure:
CAS RN: 101337-89-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H18FN3O4S
MOLECULAR WEIGHT: 379.405923
SMILES: CN1CCN(CC1)C2=C(C=C3C4=C2S(=O)CCN4C=C(C3=O)C(=O)O)F
Structure:
CAS RN: 132843-25-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H19ClFN3O4S
MOLECULAR WEIGHT: 415.866863
SMILES: CN1CCN(CC1)C2=C(C=C3C4=C2S(=O)CCN4C=C(C3=O)C(=O)O)F.Cl
Structure:
CAS RN: 132788-52-4
CAS Name: 4-[2-(6,7-dimethoxy-4-methyl-3-oxo-2-quinoxalinyl)ethyl]-1,2,4-triazole-3,5-dione
OPENEYE Name: 4-[2-(6,7-dimethoxy-4-methyl-3-oxo-quinoxalin-2-yl)ethyl]-1,2,4-triazole-3,5-dione
IUPAC Name: 4-[2-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)ethyl]-1,2,4-triazole-3,5-dione
SYSTEMATIC NAME: 4-[2-(6,7-dimethoxy-4-methyl-3-oxidanylidene-quinoxalin-2-yl)ethyl]-1,2,4-triazole-3,5-dione
MOLECULAR FORMULA: C15H15N5O5
MOLECULAR WEIGHT: 345.3101
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N=NC3=O)OC)OC
Structure:
CAS RN: 132771-69-8
CAS Name: 3,4,5-trimethoxybenzoic acid [[oxo-(3,4,5-trimethoxyphenyl)methyl]amino] ester
OPENEYE Name: [(3,4,5-trimethoxybenzoyl)amino] 3,4,5-trimethoxybenzoate
IUPAC Name: [(3,4,5-trimethoxybenzoyl)amino] 3,4,5-trimethoxybenzoate
SYSTEMATIC NAME: [(3,4,5-trimethoxyphenyl)carbonylamino] 3,4,5-trimethoxybenzoate
MOLECULAR FORMULA: C20H23NO9
MOLECULAR WEIGHT: 421.39792
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NOC(=O)C2=CC(=C(C(=C2)OC)OC)OC
Structure:
CAS RN: 132766-40-6
CAS Name: 4-(difluoroamino)-2,3,5-trifluoro-6-(phenylmethyl)benzoate
OPENEYE Name: 2-benzyl-4-(difluoroamino)-3,5,6-trifluoro-benzoate
IUPAC Name: 2-benzyl-4-(difluoroamino)-3,5,6-trifluorobenzoate
SYSTEMATIC NAME: 4-[bis(fluoranyl)amino]-2,3,5-tris(fluoranyl)-6-(phenylmethyl)benzoate
MOLECULAR FORMULA: C14H7F5NO2-
MOLECULAR WEIGHT: 316.202896
SMILES: C1=CC=C(C=C1)CC2=C(C(=C(C(=C2F)N(F)F)F)F)C(=O)[O-]
Structure:
CAS RN: 132750-98-2
CAS Name: (2S)-2-[3-[[(S)-carboxy-(2-hydroxy-3,5-dimethylphenyl)methyl]amino]propylamino]-2-(2-hydroxy-3,5-dimethylphenyl)acetic acid
OPENEYE Name: (2S)-2-[3-[[(S)-carboxy-(2-hydroxy-3,5-dimethyl-phenyl)methyl]amino]propylamino]-2-(2-hydroxy-3,5-dimethyl-phenyl)acetic acid
IUPAC Name: (2S)-2-[3-[[(S)-carboxy-(2-hydroxy-3,5-dimethylphenyl)methyl]amino]propylamino]-2-(2-hydroxy-3,5-dimethylphenyl)acetic acid
SYSTEMATIC NAME: (2S)-2-(3,5-dimethyl-2-oxidanyl-phenyl)-2-[3-[[(1S)-1-(3,5-dimethyl-2-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]amino]propylamino]ethanoic acid
MOLECULAR FORMULA: C23H30N2O6
MOLECULAR WEIGHT: 430.4941
SMILES: CC1=CC(=C(C(=C1)[C@@H](C(=O)O)NCCCN[C@@H](C2=CC(=CC(=C2O)C)C)C(=O)O)O)C
Structure:
CAS RN: 132748-20-0
CAS Name: (2S)-2-[[(2S,3S)-2-[[[(2S)-1-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-amino-1,4-dioxobutyl]amino]-2-hydroxy-4-phenylbutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-3-methylbutan
OPENEYE Name: methyl (2S)-2-[[(2S,3S)-2-[[(2S)-1-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoa
IUPAC Name: methyl (2S)-2-[[(2S,3S)-2-[[(2S)-1-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
SYSTEMATIC NAME: methyl (2S)-2-[[(2S,3S)-2-[[(2S)-1-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-3-
MOLECULAR FORMULA: C42H68N8O11
MOLECULAR WEIGHT: 861.03632
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@@H]1CCCN1CC(C(CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)C)O
Structure:
CAS RN: 132741-84-5
CAS Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-5-phenylpentanoate
OPENEYE Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-5-phenyl-pentanoate
IUPAC Name: 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxo-5-phenylpentanoate
SYSTEMATIC NAME: 3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]-5-phenyl-pentanoate
MOLECULAR FORMULA: C16H23NO4
MOLECULAR WEIGHT: 293.35812
SMILES: C[N+](C)(C)CC(C(C(=O)CCC1=CC=CC=C1)C(=O)[O-])O
Structure:
CAS RN: 132723-74-1
CAS Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-[[(2,2,6,6-tetramethyl-5-oxa-1-azabicyclo[2.1.1]hexan-4-yl)amino]methyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[[(2,2,6,6-tetramethyl-5-oxa-1-azabicyclo[2.1.1]hexan-4-yl)amino]methyl]pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(2,2,6,6-tetramethyl-5-oxa-1-azabicyclo[2.1.1]hexan-4-yl)amino]methyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(2,2,6,6-tetramethyl-5-oxa-1-azabicyclo[2.1.1]hexan-4-yl)amino]methyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C18H28N4O6
MOLECULAR WEIGHT: 396.43812
SMILES: CC1(CC2(C(N1O2)(C)C)NCC3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)CO)O)C
Structure:
CAS RN: 132712-10-8
CAS Name: 4-(1-oxobutoxy)benzenediazonium tetrafluoroborate
OPENEYE Name: 4-butanoyloxybenzenediazonium tetrafluoroborate
IUPAC Name: 4-butanoyloxybenzenediazonium tetrafluoroborate
SYSTEMATIC NAME: 4-butanoyloxybenzenediazonium tetrafluoroborate
MOLECULAR FORMULA: C10H11BF4N2O2
MOLECULAR WEIGHT: 278.011153
SMILES: [B-](F)(F)(F)F.CCCC(=O)OC1=CC=C(C=C1)[N+]#N
Structure:
CAS RN: 132691-83-9
CAS Name: 4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
OPENEYE Name: 4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
IUPAC Name: 4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SYSTEMATIC NAME: 5,7-bis(chloranyl)-4-(2-hydroxy-2-oxoethyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
MOLECULAR FORMULA: C12H11Cl2NO4
MOLECULAR WEIGHT: 304.12604
SMILES: C1C(C2=C(C=C(C=C2NC1C(=O)O)Cl)Cl)CC(=O)O
Structure:
CAS RN: 132657-47-7
CAS Name: 4-[4-(dimethylamino)-1-pyridin-1-iumyl]butyl (2-ethoxy-3-hexadecoxypropyl) phosphate
OPENEYE Name: 4-[4-(dimethylamino)pyridin-1-ium-1-yl]butyl (2-ethoxy-3-hexadecoxy-propyl) phosphate
IUPAC Name: 4-[4-(dimethylamino)pyridin-1-ium-1-yl]butyl (2-ethoxy-3-hexadecoxypropyl) phosphate
SYSTEMATIC NAME: 4-[4-(dimethylamino)pyridin-1-ium-1-yl]butyl (2-ethoxy-3-hexadecoxy-propyl) phosphate
MOLECULAR FORMULA: C32H61N2O6P
MOLECULAR WEIGHT: 600.810301
SMILES: CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCCC[N+]1=CC=C(C=C1)N(C)C)OCC
Structure:
CAS RN: 132646-01-6
CAS Name: 2-[hydroxy(phenyl)methyl]-2-methyl-1-cyclohexanone
OPENEYE Name: 2-[hydroxy(phenyl)methyl]-2-methyl-cyclohexanone
IUPAC Name: 2-[hydroxy(phenyl)methyl]-2-methylcyclohexan-1-one
SYSTEMATIC NAME: 2-methyl-2-[oxidanyl(phenyl)methyl]cyclohexan-1-one
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: CC1(CCCCC1=O)C(C2=CC=CC=C2)O
Structure:
CAS RN: 226700-80-7
CAS Name: disodium [(2R,3S)-1-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-[[oxo-[[(3S)-3-oxolanyl]oxy]methyl]amino]-4-phenylbutan-2-yl] phosphate
OPENEYE Name: disodium [(1R,2S)-1-[[(4-aminophenyl)sulfonyl-isobutyl-amino]methyl]-3-phenyl-2-[[(3S)-tetrahydrofuran-3-yl]oxycarbonylamino]propyl] phosphate
IUPAC Name: disodium [(2R,3S)-1-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-4-phenylbutan-2-yl] phosphate
SYSTEMATIC NAME: disodium [(2R,3S)-1-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-4-phenyl-butan-2-yl] phosphate
MOLECULAR FORMULA: C25H34N3Na2O9PS
MOLECULAR WEIGHT: 629.570461
SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)OP(=O)([O-])[O-])S(=O)(=O)C3=CC=C(C=C3)N.[Na+].[Na+]
Structure:
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