Formula |
C23H38N4O4S |
IUPAC Name |
(2s,3s)-2-[[(2s)-2-[[(2r)-2-[[(2s)-2-amino-3-phenyl-propyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-3-methyl-pentanoic acid |
Molecular Mass |
466.637 g·mol−1 |
Heat of Formation |
-796.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.04 ± 1.08 D |
Volume |
598.98 Å 3 |
Surface Area |
512.31 Å 2 |
HOMO Energy |
-8.50 ± 0.55 eV |
LUMO Energy |
0.16 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- (2s,3s)-2-[[(2s)-2-[[(2r)-2-[[(2s)-2-amino-3-phenyl-propyl]amino]-4-(methylthio)butanoyl]amino]propanoyl]amino]-3-methyl-valeric acid
- (2s,3s)-2-[[(2s)-2-[[(2r)-2-[[(2s)-2-amino-3-phenyl-propyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-3-methyl-pentanoic acid
- (2s,3s)-2-[[(2s)-2-[[(2r)-2-[[(2s)-2-amino-3-phenylpropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-3-methylpentanoic acid
- (2s,3s)-2-[[(2s)-2-[[(2r)-2-[[(2s)-2-amino-3-phenylpropyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-methylpentanoic acid
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InChIKey |
WTDYTUSSFIIXMV-HNULKUCHSA-N |
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Elements |
H
C
S
O
N
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