Chem
J-GLOBAL ID:200907029708229707
Nikkaji number:J82.045H
Ro-22-5417
クラバラニン
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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:
C8 H12 N2 O4
Molecular formula furigana:
C8-H12-N2-O4
Molecular weight:
200.194
InChI:
InChI=1S/C8H12N2O4/c9-5(8(12)13)1-4-3-10-6(11)2-7(10)14-4/h4-5,7H,1-3,9H2,(H,12,13)/t4-,5-,7-/m0/s1
InChI key:
KCAIYJDHLVYANU-VPLCAKHXSA-N
SMILES:
N[C@@H](C[C@H]1CN2[C@H](CC2=O)O1)C(=O)O
Systematic name (5):
[3S,5α,αS,(-)]-α-アミノ-7-オキソ-4-オキサ-1-アザビシクロ[3.2.0]ヘプタン-3α-プロパン酸
(3S,5α,αS)-α-アミノ-7-オキソ-4-オキサ-1-アザビシクロ[3.2.0]ヘプタン-3α-プロパン酸
3-[(1S,3S)-6-オキソ-2-オキサ-5-アザビシクロ[3.2.0]ヘプタン-3-イル]-L-アラニン
(2S)-2-アミノ-3-[(3S,5S)-7-オキソ-4-オキサ-1-アザビシクロ[3.2.0]ヘプタン-3-イル]プロパン酸
(2S)-2-amino-3-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic acid
Other name (12):
2-アラニルクラバム
2-Alanylclavam
Ro-22-5417
Antibiotic Ro-22-5417
クラバラニン
抗生物質Ro-22-5417
Clavalanine
[3S,5α,αS,(-)]-α-Amino-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-3α-propanoic acid
(3S,5α,αS)-α-Amino-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-3α-propanoic acid
3-[(1S,3S)-6-Oxo-2-oxa-5-azabicyclo[3.2.0]heptane-3-yl]-L-alanine
アラニルクラバム
Alanylclavam
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CAS registry number:
74758-63-7
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