Chem
J-GLOBAL ID：200907028390448440
Nikkaji number：J577.458F
(7R)-7-[[(Z)-2-(2-Amino-4-thiazolyl)-1-oxo-4-(methylthio)-2-butenyl]amino]-3-[[(1,2,3-thiadiazol-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-4-(メチルチオ)-2-ブテニル]アミノ]-3-[[(1,2,3-チアジアゾール-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： C18H18N6O4S5
Molecular formula furigana： C18-H18-N6-O4-S5
Molecular weight： 542.680
InChI：
InChI=1S/C18H18N6O4S5/c1-29-3-2-9(10-7-32-18(19)21-10)14(25)22-12-15(26)24-13(17(27)28)8(6-31-16(12)24)5-30-11-4-20-23-33-11/h2,4,7,12,16H,3,5-6H2,1H3,(H2,19,21)(H,22,25)(H,27,28)/b9-2-/t12-,16-/m1/s1
InChI key：
NCAJRRKQSQAGDU-NAYLIIKXSA-N
SMILES：
CSC/C=C(\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)CSc1cnns1)/c1csc(N)n1
Systematic name (3)：
- (7R)-7-[[(Z)-2-(2-アミノ-4-チアゾリル)-1-オキソ-4-(メチルチオ)-2-ブテニル]アミノ]-3-[[(1,2,3-チアジアゾール-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)-4-(メチルスルファニル)ブタ-2-エンアミド]-8-オキソ-3-[(1,2,3-チアジアゾール-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)-4-(methylsulfanyl)but-2-enamido]-8-oxo-3-[(1,2,3-thiadiazol-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-4-(methylthio)-2-butenyl]amino]-3-[[(1,2,3-thiadiazol-5-yl)thio]methyl]cepham-3-ene-4-carboxylic acid
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