Chem
J-GLOBAL ID：200907088745296097
Nikkaji number：J577.450K
(7R)-7-[[(Z)-2-(2-Amino-4-thiazolyl)-1-oxo-2-pentenyl]amino]-3-[[(1H-1,2,3-triazol-5-yl)thio]methyl]cepham-3-ene-4-carboxylic acid
(7R)-7-[[(Z)-2-(2-アミノ-4-チアゾリル)-1-オキソ-2-ペンテニル]アミノ]-3-[[(1H-1,2,3-トリアゾール-5-イル)チオ]メチル]セファム-3-エン-4-カルボン酸
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C18H19N7O4S3
Molecular formula furigana： C18-H19-N7-O4-S3
Molecular weight： 493.580
InChI：
InChI=1S/C18H19N7O4S3/c1-2-3-9(10-7-32-18(19)21-10)14(26)22-12-15(27)25-13(17(28)29)8(6-31-16(12)25)5-30-11-4-20-24-23-11/h3-4,7,12,16H,2,5-6H2,1H3,(H2,19,21)(H,22,26)(H,28,29)(H,20,23,24)/b9-3-/t12-,16-/m1/s1
InChI key：
ISKDFDXZTUVBLF-NVEURQONSA-N
SMILES：
CC/C=C(\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)CSc1cnn[nH]1)/c1csc(N)n1
Systematic name (3)：
- (7R)-7-[[(Z)-2-(2-アミノ-4-チアゾリル)-1-オキソ-2-ペンテニル]アミノ]-3-[[(1H-1,2,3-トリアゾール-5-イル)チオ]メチル]セファム-3-エン-4-カルボン酸
- (6R,7R)-7-[(2Z)-2-(2-アミノ-1,3-チアゾール-4-イル)ペンタ-2-エンアミド]-8-オキソ-3-[(1H-1,2,3-トリアゾール-5-イルスルファニル)メチル]-5-チア-1-アザビシクロ[4.2.0]オクタ-2-エン-2-カルボン酸
- (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enamido]-8-oxo-3-[(1H-1,2,3-triazol-5-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (7R)-7-[[(Z)-2-(2-Amino-4-thiazolyl)-1-oxo-2-pentenyl]amino]-3-[[(1H-1,2,3-triazol-5-yl)thio]methyl]cepham-3-ene-4-carboxylic acid
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