Chem
J-GLOBAL ID:200907007199691427
Nikkaji number:J480.698K
Isopenicillin N
イソペニシリンN
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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 H21 N3 O6 S
Molecular formula furigana:
C14-H21-N3-O6-S
Molecular weight:
359.400
InChI:
InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8+,9-,11+/m0/s1
InChI key:
MIFYHUACUWQUKT-GTQWGBSQSA-N
SMILES:
CC1(C)S[C@@H]2[C@H](NC(=O)CCC[C@H](N)C(=O)O)C(=O)N2[C@H]1C(=O)O
Systematic name (4):
(2S,5β)-6α-[[(S)-5-アミノ-5-カルボキシ-1-オキソペンチル]アミノ]-3,3-ジメチル-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2β-カルボン酸
6α-[[(S)-5-アミノ-5-カルボキシ-1-オキソペンチル]アミノ]ペニシラン酸
(2S,5R,6R)-6-[(5S)-5-アミノ-5-カルボキシペンタンアミド]-3,3-ジメチル-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2-カルボン酸
(2S,5R,6R)-6-[(5S)-5-amino-5-carboxypentanamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Other name (4):
イソペニシリンN
Isopenicillin N
6α-[[(S)-5-Amino-5-carboxy-1-oxopentyl]amino]penicillanic acid
(2S,5β)-6α-[[(S)-5-Amino-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid
CAS registry number:
58678-43-6
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