Formula |
C22H29N3O3S |
IUPAC Name |
(2s)-2-[[4-[[(2r)-2-azaniumyl-3-sulfanyl-propyl]amino]-2-phenyl-benzoyl]amino]-4-methyl-pentanoate |
Molecular Mass |
415.549 g·mol−1 |
Heat of Formation |
-170.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
40.05 ± 1.08 D |
Volume |
521.27 Å 3 |
Surface Area |
419.73 Å 2 |
HOMO Energy |
-6.67 ± 0.55 eV |
LUMO Energy |
-2.87 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[4-[[(2r)-2-amino-3-mercapto-propyl]amino]-2-phenyl-benzoyl]amino]-4-methyl-valeric acid
- (2s)-2-[[4-[[(2r)-2-amino-3-sulfanyl-propyl]amino]-2-phenyl-benzoyl]amino]-4-methyl-pentanoic acid
- (2s)-2-[[4-[[(2r)-2-amino-3-sulfanyl-propyl]amino]-2-phenyl-phenyl]carbonylamino]-4-methyl-pentanoic acid
- (2s)-2-[[4-[[(2r)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylpentanoic acid
- (2s)-2-[[[4-[[(2r)-2-amino-3-mercaptopropyl]amino]-2-phenylphenyl]-oxomethyl]amino]-4-methylpentanoic acid
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InChIKey |
IIPCWBJMJZVLOK-UZLBHIALSA-N |
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Links |
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Elements |
H
S
C
O
N
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