Formula |
C20H30N2O5S |
IUPAC Name |
methyl (2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate |
Molecular Mass |
410.528 g·mol−1 |
Heat of Formation |
-961.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.45 ± 1.08 D |
Volume |
524.7 Å 3 |
Surface Area |
428.87 Å 2 |
HOMO Energy |
-8.42 ± 0.55 eV |
LUMO Energy |
0.14 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid methyl ester
- (2s)-2-[[(2s)-2-[(tert-butoxy-oxomethyl)amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid methyl ester
- methyl (2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate
- methyl (2s)-2-[[(2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate
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InChIKey |
STRFQIOAEDHQFM-HOTGVXAUSA-N |
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Elements |
H
S
C
O
N
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