| Formula |
C21H24N2O5S2 |
| IUPAC Name |
(2s)-2-[[(2s,6s)-4-(carboxymethyl)-5-oxo-2-(2-thienyl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid |
| Molecular Mass |
448.556 g·mol−1 |
| Heat of Formation |
-697.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.83 ± 1.08 D |
| Volume |
512.65 Å 3 |
| Surface Area |
425.48 Å 2 |
| HOMO Energy |
-9.04 ± 0.55 eV |
| LUMO Energy |
2.18 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
KZVWEOXAPZXAFB-JZXOWHBKSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
S
C
O
N
|
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