Chem
J-GLOBAL ID:200907097663491036
Nikkaji number:J577.457H
(7R)-7-[[(Z)-2-(2-Amino-4-thiazolyl)-1-oxo-4-(methylthio)-2-butenyl]amino]-3-[(carbamoyloxy)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-[(カルバモイルオキシ)メチル]セファム-3-エン-4-カルボン酸
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Substance type:
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
Molecular formula:
C17 H19 N5 O6 S3
Molecular formula furigana:
C17-H19-N5-O6-S3
Molecular weight:
485.550
InChI:
InChI=1S/C17H19N5O6S3/c1-29-3-2-8(9-6-31-16(18)20-9)12(23)21-10-13(24)22-11(15(25)26)7(4-28-17(19)27)5-30-14(10)22/h2,6,10,14H,3-5H2,1H3,(H2,18,20)(H2,19,27)(H,21,23)(H,25,26)/b8-2-/t10-,14-/m1/s1
InChI key:
KXFQVYCNJCLABK-JXWPFQBXSA-N
SMILES:
CSC/C=C(\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)N)/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-[(カルバモイルオキシ)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]-3-[(カルバモイルオキシ)メチル]-8-オキソ-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]-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Other name (1):
(7R)-7-[[(Z)-2-(2-Amino-4-thiazolyl)-1-oxo-4-(methylthio)-2-butenyl]amino]-3-[(carbamoyloxy)methyl]cepham-3-ene-4-carboxylic acid
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