Chem
J-GLOBAL ID:200907036446886414
Nikkaji number:J92.761I
Deacetoxycephalosporin C
デアセトキシセファロスポリンC
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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:
C14 H19 N3 O6 S
Molecular formula furigana:
C14-H19-N3-O6-S
Molecular weight:
357.380
InChI:
InChI=1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/t7-,9-,12-/m1/s1
InChI key:
NNQIJOYQWYKBOW-JWKOBGCHSA-N
SMILES:
CC1=C(N2[C@H](SC1)[C@H](NC(=O)CCC[C@@H](N)C(=O)O)C2=O)C(=O)O
Systematic name (4):
(6R,7R)-7-[[(R)-5-アミノ-5-カルボキシ-1-オキソペンチル]アミノ]-3-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)-3-メチル-7α-[[(R)-5-アミノ-5-カルボキシ-1-オキソペンチル]アミノ]-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-[(5R)-5-アミノ-5-カルボキシペンタンアミド]-3-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-[(5R)-5-amino-5-carboxypentanamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Other name (7):
抗生物質WS-3442A
Deacetoxycephalosporin C
デアセトキシセファロスポリンC
WS-3442A
Antibiotic WS-3442A
(6R,7R)-7-[[(R)-5-Amino-5-carboxy-1-oxopentyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R)-3-Methyl-7α-[[(R)-5-amino-5-carboxy-1-oxopentyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid
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CAS registry number:
26924-74-3
Regulation number (1):
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