Formula |
C19H28N2O4S |
IUPAC Name |
(2s)-2-[[(2s)-3-phenyl-2-[[(2s)-2-sulfanylheptanoyl]amino]propanoyl]amino]propanoic acid |
Molecular Mass |
380.502 g·mol−1 |
Heat of Formation |
-816.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.88 ± 1.08 D |
Volume |
483.86 Å 3 |
Surface Area |
410.04 Å 2 |
HOMO Energy |
-9.19 ± 0.55 eV |
LUMO Energy |
2.33 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[(2s)-2-[[(2s)-2-mercapto-1-oxoheptyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid
- (2s)-2-[[(2s)-2-[[(2s)-2-mercaptoheptanoyl]amino]-3-phenyl-propanoyl]amino]propionic acid
- (2s)-2-[[(2s)-3-phenyl-2-[[(2s)-2-sulfanylheptanoyl]amino]propanoyl]amino]propanoic acid
- [2(r,s)-2-sulfanylheptanoyl]-phe-ala
- ti1
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InChIKey |
GOIYKVXXGCPHQU-BPUTZDHNSA-N |
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Links |
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Elements |
H
S
C
O
N
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