Formula |
C15H21N3O3S |
IUPAC Name |
(2s)-n-[(1s)-2-[(2-amino-2-oxo-ethyl)amino]-1-methyl-2-oxo-ethyl]-2-benzyl-3-sulfanyl-propanamide |
Molecular Mass |
323.411 g·mol−1 |
Heat of Formation |
-501.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.10 ± 1.08 D |
Volume |
401.2 Å 3 |
Surface Area |
330.62 Å 2 |
HOMO Energy |
-8.73 ± 0.55 eV |
LUMO Energy |
-0.10 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-n-[(1s)-2-[(2-amino-2-keto-ethyl)amino]-2-keto-1-methyl-ethyl]-2-(benzyl)-3-mercapto-propionamide
- (2s)-n-[(1s)-2-[(2-amino-2-oxo-ethyl)amino]-1-methyl-2-oxo-ethyl]-2-(phenylmethyl)-3-sulfanyl-propanamide
- (2s)-n-[(1s)-2-[(2-amino-2-oxoethyl)amino]-1-methyl-2-oxoethyl]-2-(mercaptomethyl)-3-phenylpropanamide
- (2s)-n-[(2s)-1-[(2-amino-2-oxo-ethyl)amino]-1-oxo-propan-2-yl]-2-(phenylmethyl)-3-sulfanyl-propanamide
- (2s)-n-[(2s)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-2-(phenylmethyl)-3-sulfanylpropanamide
- btp-asp-gm1
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InChIKey |
AUJQAKJLNYFOHT-CMPLNLGQSA-N |
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Links |
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Elements |
H
S
C
O
N
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