Chem
J-GLOBAL ID:200907002987730920
Nikkaji number:J668.101H
L-Asp-D-Ala-[(R)-α,3-Dimethylbenzyl]NH2
L-Asp-D-Ala-[(R)-α,3-ジメチルベンジル]NH2
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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:
C16 H23 N3 O4
Molecular formula furigana:
C16-H23-N3-O4
Molecular weight:
321.377
InChI:
InChI=1S/C16H23N3O4/c1-9-5-4-6-12(7-9)10(2)18-15(22)11(3)19-16(23)13(17)8-14(20)21/h4-7,10-11,13H,8,17H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)/t10-,11-,13+/m1/s1
InChI key:
OTYAPHMYOXJDLC-WZRBSPASSA-N
SMILES:
C[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C)c1cccc(C)c1
Systematic name (3):
L-Asp-D-Ala-[(R)-α,3-ジメチルベンジル]NH2
(3S)-3-アミノ-3-{[(1R)-1-{[(1R)-1-(3-メチルフェニル)エチル]カルバモイル}エチル]カルバモイル}プロパン酸
(3S)-3-amino-3-{[(1R)-1-{[(1R)-1-(3-methylphenyl)ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid
Other name (1):
L-Asp-D-Ala-[(R)-α,3-Dimethylbenzyl]NH2
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