| Formula |
C21H31N3O6S |
| IUPAC Name |
(2s)-2-[[(2r)-2-aminobutanoyl]-[(2s)-2-formamido-4-methyl-4-[(r)-methylsulfinyl]pentanoyl]amino]-3-phenyl-propanoic acid |
| Molecular Mass |
453.552 g·mol−1 |
| Heat of Formation |
-1061.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.52 ± 1.08 D |
| Volume |
544.47 Å 3 |
| Surface Area |
386.79 Å 2 |
| HOMO Energy |
-8.51 ± 0.55 eV |
| LUMO Energy |
0.17 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
JMSPMIMCBHKADC-RXQMLLNFSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
S
C
O
N
|
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