CAS RN: 126223-50-5
CAS Name: bis[2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl] hydrogen phosphate
OPENEYE Name: bis[2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl] hydrogen phosphate
IUPAC Name: bis[2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl] hydrogen phosphate
SYSTEMATIC NAME: bis[2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl] hydrogen phosphate
MOLECULAR FORMULA: C40H83O10P
MOLECULAR WEIGHT: 755.054781
SMILES: CCCCCCCCCCCCCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCCCCCCCCCCCCC
Structure:
CAS RN: 126223-29-8
CAS Name: (3S)-8-hydroxy-3-[2-(4-methoxyphenyl)ethyl]-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydro-1H-2-benzopyran-1-one
OPENEYE Name: (3S)-8-hydroxy-3-[2-(4-methoxyphenyl)ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-isochroman-1-one
IUPAC Name: (3S)-8-hydroxy-3-[2-(4-methoxyphenyl)ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one
SYSTEMATIC NAME: (3S)-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-[2-(4-methoxyphenyl)ethyl]-8-oxidanyl-3,4-dihydroisochromen-1-one
MOLECULAR FORMULA: C24H28O10
MOLECULAR WEIGHT: 476.47312
SMILES: COC1=CC=C(C=C1)CC[C@H]2CC3=CC(=CC(=C3C(=O)O2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 126218-45-9
CAS Name: O-[4-[(3-nitro-2-pyridinyl)disulfanyl]butyl]hydroxylamine hydrochloride
OPENEYE Name: O-[4-[(3-nitro-2-pyridyl)disulfanyl]butyl]hydroxylamine hydrochloride
IUPAC Name: O-[4-[(3-nitropyridin-2-yl)disulfanyl]butyl]hydroxylamine hydrochloride
SYSTEMATIC NAME: O-[4-[(3-nitropyridin-2-yl)disulfanyl]butyl]hydroxylamine hydrochloride
MOLECULAR FORMULA: C9H14ClN3O3S2
MOLECULAR WEIGHT: 311.80876
SMILES: C1=CC(=C(N=C1)SSCCCCON)[N+](=O)[O-].Cl
Structure:
CAS RN: 126216-13-5
CAS Name: (2R)-2-acetamido-3-[(4-bromo-2,5-dihydroxyphenyl)thio]propanoic acid
OPENEYE Name: (2R)-2-acetamido-3-(4-bromo-2,5-dihydroxy-phenyl)sulfanyl-propanoic acid
IUPAC Name: (2R)-2-acetamido-3-(4-bromo-2,5-dihydroxyphenyl)sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-acetamido-3-[4-bromanyl-2,5-bis(oxidanyl)phenyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C11H12BrNO5S
MOLECULAR WEIGHT: 350.18568
SMILES: CC(=O)N[C@@H](CSC1=C(C=C(C(=C1)O)Br)O)C(=O)O
Structure:
CAS RN: 126190-04-3
CAS Name: (2R)-2-acetamido-3-[(2-bromo-3,6-dihydroxyphenyl)thio]propanoic acid
OPENEYE Name: (2R)-2-acetamido-3-(2-bromo-3,6-dihydroxy-phenyl)sulfanyl-propanoic acid
IUPAC Name: (2R)-2-acetamido-3-(2-bromo-3,6-dihydroxyphenyl)sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-acetamido-3-[2-bromanyl-3,6-bis(oxidanyl)phenyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C11H12BrNO5S
MOLECULAR WEIGHT: 350.18568
SMILES: CC(=O)N[C@@H](CSC1=C(C=CC(=C1Br)O)O)C(=O)O
Structure:
CAS RN: 126190-18-9
CAS Name: (2R)-2-acetamido-3-[(3-bromo-2,5-dihydroxyphenyl)thio]propanoic acid
OPENEYE Name: (2R)-2-acetamido-3-(3-bromo-2,5-dihydroxy-phenyl)sulfanyl-propanoic acid
IUPAC Name: (2R)-2-acetamido-3-(3-bromo-2,5-dihydroxyphenyl)sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-acetamido-3-[3-bromanyl-2,5-bis(oxidanyl)phenyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C11H12BrNO5S
MOLECULAR WEIGHT: 350.18568
SMILES: CC(=O)N[C@@H](CSC1=C(C(=CC(=C1)O)Br)O)C(=O)O
Structure:
CAS RN: 126175-83-5
CAS Name: 2-amino-1-[2-(6-amino-2-oxo-1-pyrimidinyl)ethyl]-7H-purin-6-one
OPENEYE Name: 2-amino-1-[2-(6-amino-2-oxo-pyrimidin-1-yl)ethyl]-7H-purin-6-one
IUPAC Name: 2-amino-1-[2-(6-amino-2-oxopyrimidin-1-yl)ethyl]-7H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-1-[2-(6-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethyl]-7H-purin-6-one
MOLECULAR FORMULA: C11H12N8O2
MOLECULAR WEIGHT: 288.26538
SMILES: C1=C(N(C(=O)N=C1)CCN2C(=O)C3=C(N=CN3)N=C2N)N
Structure:
CAS RN: 126172-94-9
CAS Name: [4-[2,6-bis(4-aminophenyl)-4-thiopyranylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium
OPENEYE Name: [4-[2,6-bis(4-aminophenyl)thiopyran-4-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium
IUPAC Name: [4-[2,6-bis(4-aminophenyl)thiopyran-4-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
SYSTEMATIC NAME: [4-[2,6-bis(4-aminophenyl)thiopyran-4-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium
MOLECULAR FORMULA: C25H24N3S+
MOLECULAR WEIGHT: 398.54316
SMILES: C[N+](=C1C=CC(=C2C=C(SC(=C2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)C=C1)C
Structure:
CAS RN: 126168-32-9
CAS Name: 1-heptyl-2-methyl-9H-carbazol-3-ol
OPENEYE Name: 1-heptyl-2-methyl-9H-carbazol-3-ol
IUPAC Name: 1-heptyl-2-methyl-9H-carbazol-3-ol
SYSTEMATIC NAME: 1-heptyl-2-methyl-9H-carbazol-3-ol
MOLECULAR FORMULA: C20H25NO
MOLECULAR WEIGHT: 295.4186
SMILES: CCCCCCCC1=C2C(=CC(=C1C)O)C3=CC=CC=C3N2
Structure:
CAS RN: 126128-51-6
CAS Name: (2R)-2-amino-3-[(4-bromo-2,5-dihydroxyphenyl)thio]propanoic acid
OPENEYE Name: (2R)-2-amino-3-(4-bromo-2,5-dihydroxy-phenyl)sulfanyl-propanoic acid
IUPAC Name: (2R)-2-amino-3-(4-bromo-2,5-dihydroxyphenyl)sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-[4-bromanyl-2,5-bis(oxidanyl)phenyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C9H10BrNO4S
MOLECULAR WEIGHT: 308.149
SMILES: C1=C(C(=CC(=C1SC[C@@H](C(=O)O)N)O)Br)O
Structure:
CAS RN: 126128-35-6
CAS Name: 1,3,4,8-tetrahydropyrimido[4,5-c]oxazin-7-one
OPENEYE Name: 1,3,4,8-tetrahydropyrimido[4,5-c]oxazin-7-one
IUPAC Name: 1,3,4,8-tetrahydropyrimido[4,5-c]oxazin-7-one
SYSTEMATIC NAME: 1,3,4,8-tetrahydropyrimido[4,5-c][1,2]oxazin-7-one
MOLECULAR FORMULA: C6H7N3O2
MOLECULAR WEIGHT: 153.13868
SMILES: C1CONC2=C1C=NC(=O)N2
Structure:
CAS RN: 126121-83-3
CAS Name: (2R)-5-cyano-4-oxo-2-(phenylmethyl)pentanoic acid
OPENEYE Name: (2R)-2-benzyl-5-cyano-4-oxo-pentanoic acid
IUPAC Name: (2R)-2-benzyl-5-cyano-4-oxopentanoic acid
SYSTEMATIC NAME: (2R)-5-cyano-4-oxidanylidene-2-(phenylmethyl)pentanoic acid
MOLECULAR FORMULA: C13H13NO3
MOLECULAR WEIGHT: 231.24722
SMILES: C1=CC=C(C=C1)C[C@H](CC(=O)CC#N)C(=O)O
Structure:
CAS RN: 126114-66-7
CAS Name: 1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline hydrochloride
OPENEYE Name: 1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline hydrochloride
IUPAC Name: 1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline hydrochloride
SYSTEMATIC NAME: 1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline hydrochloride
MOLECULAR FORMULA: C16H18ClN
MOLECULAR WEIGHT: 259.77382
SMILES: CC1(C2=CC=CC=C2CCN1)C3=CC=CC=C3.Cl
Structure:
CAS RN: 126094-21-1
CAS Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-methoxypropyl)hexanamide
OPENEYE Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-methoxypropyl)hexanamide
IUPAC Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-methoxypropyl)hexanamide
SYSTEMATIC NAME: (2R,3S,4R,5R)-N-(3-methoxypropyl)-2,3,4,5,6-pentakis(oxidanyl)hexanamide
MOLECULAR FORMULA: C10H21NO7
MOLECULAR WEIGHT: 267.27624
SMILES: COCCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Structure:
CAS RN: 126092-91-9
CAS Name: N-[2-[4-(9-acridinylamino)anilino]-2-oxoethyl]-4-amino-1-methyl-2-pyrrolecarboxamide
OPENEYE Name: N-[2-[4-(acridin-9-ylamino)anilino]-2-oxo-ethyl]-4-amino-1-methyl-pyrrole-2-carboxamide
IUPAC Name: N-[2-[4-(acridin-9-ylamino)anilino]-2-oxoethyl]-4-amino-1-methylpyrrole-2-carboxamide
SYSTEMATIC NAME: N-[2-[[4-(acridin-9-ylamino)phenyl]amino]-2-oxidanylidene-ethyl]-4-azanyl-1-methyl-pyrrole-2-carboxamide
MOLECULAR FORMULA: C27H24N6O2
MOLECULAR WEIGHT: 464.51846
SMILES: CN1C=C(C=C1C(=O)NCC(=O)NC2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)N
Structure:
CAS RN: 126088-92-4
CAS Name: (2S,3R)-2-acetamido-N-[(2R)-2-amino-3-(1-formyl-3-indolyl)-1-oxopropyl]-3-hydroxy-N-[(2S)-2-[methyl-(phenylmethyl)amino]-1-oxo-3-phenylpropyl]butanamide
OPENEYE Name: (2S,3R)-2-acetamido-N-[(2R)-2-amino-3-(1-formylindol-3-yl)propanoyl]-N-[(2S)-2-[benzyl(methyl)amino]-3-phenyl-propanoyl]-3-hydroxy-butanamide
IUPAC Name: (2S,3R)-2-acetamido-N-[(2R)-2-amino-3-(1-formylindol-3-yl)propanoyl]-N-[(2S)-2-[benzyl(methyl)amino]-3-phenylpropanoyl]-3-hydroxybutanamide
SYSTEMATIC NAME: (2S,3R)-2-acetamido-N-[(2R)-2-azanyl-3-(1-methanoylindol-3-yl)propanoyl]-N-[(2S)-2-[methyl-(phenylmethyl)amino]-3-phenyl-propanoyl]-3-oxidanyl-butanamide
MOLECULAR FORMULA: C35H39N5O6
MOLECULAR WEIGHT: 625.71406
SMILES: C[C@H]([C@@H](C(=O)N(C(=O)[C@@H](CC1=CN(C2=CC=CC=C21)C=O)N)C(=O)[C@H](CC3=CC=CC=C3)N(C)CC4=CC=CC=C4)NC(=O)C)O
Structure:
CAS RN: 126088-82-2
CAS Name: (2S)-2-[[(2R)-2-[[(2S)-5-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,5-dioxopentyl]amino]-3-(1-formyl-3-indolyl)-1-oxopropyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester
OPENEYE Name: benzyl (2S)-2-[[(2R)-2-[[(2S)-5-amino-2-(tert-butoxycarbonylamino)-5-oxo-pentanoyl]amino]-3-(1-formylindol-3-yl)propanoyl]amino]-3-phenyl-propanoate
IUPAC Name: benzyl (2S)-2-[[(2R)-2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-3-(1-formylindol-3-yl)propanoyl]amino]-3-phenylpropanoate
SYSTEMATIC NAME: (phenylmethyl) (2S)-2-[[(2R)-2-[[(2S)-5-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-(1-methanoylindol-3-yl)propanoyl]amino]-3-phenyl-propanoate
MOLECULAR FORMULA: C38H43N5O8
MOLECULAR WEIGHT: 697.77672
SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CC1=CN(C2=CC=CC=C21)C=O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
Structure:
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