| Formula |
C22H34BN5O5S |
| IUPAC Name |
[(1r)-4-carbamimidoylsulfanyl-1-[[(2s)-1-[(2r)-3-phenyl-2-(propanoylamino)propanoyl]pyrrolidine-2-carbonyl]amino]butyl]boronic acid |
| Molecular Mass |
491.412 g·mol−1 |
| Heat of Formation |
-1118.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.88 ± 1.08 D |
| Volume |
599.99 Å 3 |
| Surface Area |
510.56 Å 2 |
| HOMO Energy |
-8.84 ± 0.55 eV |
| LUMO Energy |
-0.33 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
IRTXHWTZQUYIAV-SQNIBIBYSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
B
H
O
N
S
|
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