| Formula |
C31H36ClFN2O8S |
| IUPAC Name |
(3s)-5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-[[(2s)-2-[[2-[2-ethoxy-5-[(e)-3-methoxy-3-oxo-prop-1-enyl]phenyl]acetyl]amino]-3-methyl-butanoyl]amino]-4-oxo-pentanoic acid |
| Molecular Mass |
651.143 g·mol−1 |
| Heat of Formation |
-1617.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
9.48 ± 1.08 D |
| Volume |
753.61 Å 3 |
| Surface Area |
553.1 Å 2 |
| HOMO Energy |
-8.90 ± 0.55 eV |
| LUMO Energy |
2.05 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (3s)-5-[(2-chloro-6-fluoro-benzyl)thio]-3-[[(2s)-2-[[2-[2-ethoxy-5-[(e)-3-keto-3-methoxy-prop-1-enyl]phenyl]acetyl]amino]-3-methyl-butanoyl]amino]-4-keto-valeric acid
- (3s)-5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-[[(2s)-2-[2-[2-ethoxy-5-[(e)-3-methoxy-3-oxo-prop-1-enyl]phenyl]ethanoylamino]-3-methyl-butanoyl]amino]-4-oxo-pentanoic acid
- (3s)-5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-[[(2s)-2-[[2-[2-ethoxy-5-[(e)-3-methoxy-3-oxo-prop-1-enyl]phenyl]acetyl]amino]-3-methyl-butanoyl]amino]-4-oxo-pentanoic acid
- (3s)-5-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-{[n-({2-ethoxy-5-[(1e)-3-methoxy-3-oxoprop-1-enyl]phenyl}acetyl)-d-valyl]amino}-4-oxopentanoic acid
- (3s)-5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[[(2s)-2-[[2-[2-ethoxy-5-[(e)-3-methoxy-3-oxoprop-1-enyl]phenyl]acetyl]amino]-3-methylbutanoyl]amino]-4-oxopentanoic acid
- (3s)-5-[(2-chloro-6-fluorophenyl)methylthio]-3-[[(2s)-2-[[2-[2-ethoxy-5-[(e)-3-methoxy-3-oxoprop-1-enyl]phenyl]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-4-oxopentanoic acid
|
| InChIKey |
BBHZJDWNUYJWFP-FSJABKHUSA-N |
| QR Code |
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| Links |
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| DOI |
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|
| Elements |
C
Cl
H
F
O
N
S
|
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