Chem
J-GLOBAL ID:200907070019602034
Nikkaji number:J332.452D
(6R,6β)-7α-[[(Amino)phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-7-(2-アミノ-2-フェニルアセトアミド)-3-クロロ-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
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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:
C15 H14 ClN3 O4 S
Molecular formula furigana:
C15-H14-CL-N3-O4-S
Molecular weight:
367.800
InChI:
InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9?,10-,14-/m1/s1
InChI key:
QYIYFLOTGYLRGG-WUMONGPASA-N
SMILES:
NC(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)Cl)c1ccccc1
Systematic name (3):
(6R,6β)-7α-[[(アミノ)フェニルアセチル]アミノ]-3-クロロ-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-(2-アミノ-2-フェニルアセトアミド)-3-クロロ-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-(2-amino-2-phenylacetamido)-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Other name (1):
(6R,6β)-7α-[[(Amino)phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS registry number:
64753-81-7
Regulation number (1):
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