Formula |
C21H29N3O5S |
IUPAC Name |
methyl (2s)-2-[[(2s)-1-[(2s)-2-formamido-4-methylsulfanyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate |
Molecular Mass |
435.537 g·mol−1 |
Heat of Formation |
-834.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.92 ± 1.08 D |
Volume |
529.52 Å 3 |
Surface Area |
437.4 Å 2 |
HOMO Energy |
-8.60 ± 0.55 eV |
LUMO Energy |
0.14 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[(2s)-1-[(2s)-2-formamido-4-(methylthio)butanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propionic acid methyl ester
- (2s)-2-[[[(2s)-1-[(2s)-2-formamido-4-(methylthio)-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester
- methyl (2s)-2-[[(2s)-1-[(2s)-2-formamido-4-methylsulfanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate
- methyl (2s)-2-[[(2s)-1-[(2s)-2-formamido-4-methylsulfanyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate
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InChIKey |
PJYRDJQVXPQKFT-BZSNNMDCSA-N |
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Elements |
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