Chem
J-GLOBAL ID:200907091839942422
Nikkaji number:J793.371A
3′′-Deamino-3′′-oxonicotianamine
3′′-デアミノ-3′′-オキソニコチアナミン
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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:
C12 H18 N2 O7
Molecular formula furigana:
C12-H18-N2-O7
Molecular weight:
302.283
InChI:
InChI=1S/C12H18N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-8,13H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-/m0/s1
InChI key:
PSBHIGYNXQIUQY-YUMQZZPRSA-N
SMILES:
OC(=O)[C@H](CCN1CC[C@H]1C(=O)O)NCCC(=O)C(=O)O
Systematic name (4):
(αS,2S)-2α-カルボキシ-α-[(3-カルボキシ-3-オキソプロピル)アミノ]-1-アゼチジンブタン酸
(2S)-1-[(3S)-3-カルボキシ-3-[(3-カルボキシ-3-オキソプロピル)アミノ]プロピル]-2-アゼチジンカルボン酸
(2S)-1-[(3S)-3-カルボキシ-3-[(3-カルボキシ-3-オキソプロピル)アミノ]プロピル]アゼチジン-2-カルボン酸
(2S)-1-[(3S)-3-carboxy-3-[(3-carboxy-3-oxopropyl)amino]propyl]azetidine-2-carboxylic acid
Other name (4):
(αS,2S)-2α-Carboxy-α-[(3-carboxy-3-oxopropyl)amino]-1-azetidinebutanoic acid
(2S)-1-[(3S)-3-Carboxy-3-[(3-carboxy-3-oxopropyl)amino]propyl]-2-azetidinecarboxylic acid
3′′-Deamino-3′′-oxonicotianamine
3′′-デアミノ-3′′-オキソニコチアナミン
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