5-[(2-{[5-(3,5-Difluorophenoxy)-3-Hydroxy-4-({3-[Methyl(Methylsulfonyl)Amino]-5-[(1-Phenylethyl)Carbamoyl]Benzoyl}Amino)Pentanoyl]Amino}-3-Methylbutanoyl)Amino]Isophthalic Acid
Properties
Property | Value |
---|---|
Formula | C42H45F2N5O12S |
IUPAC Name | 5-[[(2s)-2-[[(3r,4s)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-[methyl(methylsulfonyl)amino]-5-[[(1r)-1-phenylethyl]carbamoyl]benzoyl]amino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid |
Molecular Mass | 881.895 g·mol−1 |
Heat of Formation | -2264.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.80 ± 1.08 D |
Volume | 1007.07 Å 3 |
Surface Area | 805.25 Å 2 |
HOMO Energy | -9.12 ± 0.55 eV |
LUMO Energy | -1.32 ± eV |
Point Group Symmetry | C1 |
InChIKey | XYKCBRCSBVZGIL-WRXYKUNKSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | C F H O N S |