Chem
J-GLOBAL ID:200907077775728194
Nikkaji number:J283.118J
(6R,7R)-7α-[[(R)-(Formyloxy)phenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R)-7α-[[(R)-(ホルミルオキシ)フェニルアセチル]アミノ]-3-[[(1-メチル-1H-テトラゾール-5-イル)チオ]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
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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:
C19 H18 N6 O6 S2
Molecular formula furigana:
C19-H18-N6-O6-S2
Molecular weight:
490.510
InChI:
InChI=1S/C19H18N6O6S2/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30)/t12-,14-,17-/m1/s1
InChI key:
RRJHESVQVSRQEX-SUYBPPKGSA-N
SMILES:
Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](OC=O)c1ccccc1)C2=O)C(=O)O
Systematic name (4):
(6R)-7α-[[(R)-(ホルミルオキシ)フェニルアセチル]アミノ]-3-[[(1-メチル-1H-テトラゾール-5-イル)チオ]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)-7α-[[(R)-(ホルミルオキシ)フェニルアセチル]アミノ]-3-[[(1-メチル-1H-テトラゾール-5-イル)チオ]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-[(2R)-2-(ホルミルオキシ)-2-フェニルアセトアミド]-3-{[(1-メチル-1H-1,2,3,4-テトラゾール-5-イル)スルファニル]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-[(2R)-2-(formyloxy)-2-phenylacetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Other name (1):
(6R,7R)-7α-[[(R)-(Formyloxy)phenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS registry number:
57268-80-1
Regulation number (1):
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