(2S,3R,4S)-4-({(3S,5S)-5-[(3-Carboxyphenyl)Carbamoyl]-3-Pyrrolidinyl}Sulfanyl)-2-[(2S,3R)-3-Hydroxy-1-Oxo-2-Butanyl]-3-Methyl-3,4-Dihydro-2H-Pyrrole-5-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C22H27N3O7S |
IUPAC Name | (2s,3r,4s)-4-[(3s,5s)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-2-[(1s,2r)-1-formyl-2-hydroxy-propyl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid |
Molecular Mass | 477.531 g·mol−1 |
Heat of Formation | -1063.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.70 ± 1.08 D |
Volume | 547.79 Å 3 |
Surface Area | 468.98 Å 2 |
HOMO Energy | -9.11 ± 0.55 eV |
LUMO Energy | 2.15 ± eV |
Point Group Symmetry | C1 |
InChIKey | RALHTEQYPKBGFO-SAGZMZRGSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C S O N |