Formula |
C36H51N5O9 |
IUPAC Name |
(2s)-2-[[2-[[(3s)-3-[[(2s)-2-[[(2s)-2-cyclohexyl-2-(isobutoxycarbonylamino)acetyl]amino]-3-cyclopropyl-propanoyl]amino]-4-cyclopropyl-2-oxo-butanoyl]amino]acetyl]amino]-2-phenyl-acetic acid |
Molecular Mass |
697.818 g·mol−1 |
Heat of Formation |
-1591.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.91 ± 1.08 D |
Volume |
870.41 Å 3 |
Surface Area |
658.36 Å 2 |
HOMO Energy |
-9.71 ± 0.55 eV |
LUMO Energy |
2.95 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[2-[[(3s)-3-[[(2s)-2-[[(2s)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)ethanoyl]amino]-3-cyclopropyl-propanoyl]amino]-4-cyclopropyl-2-oxo-butanoyl]amino]ethanoylamino]-2-phenyl-ethanoic acid
- (2s)-2-[[2-[[(3s)-3-[[(2s)-2-[[(2s)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]amino]-3-cyclopropylpropanoyl]amino]-4-cyclopropyl-2-oxobutanoyl]amino]acetyl]amino]-2-phenylacetic acid
- (2s)-2-[[2-[[(3s)-3-[[(2s)-2-[[(2s)-2-cyclohexyl-2-(isobutoxycarbonylamino)acetyl]amino]-3-cyclopropyl-propanoyl]amino]-4-cyclopropyl-2-keto-butanoyl]amino]acetyl]amino]-2-phenyl-acetic acid
- (2s)-2-[[2-[[(3s)-3-[[(2s)-2-[[(2s)-2-cyclohexyl-2-(isobutoxycarbonylamino)acetyl]amino]-3-cyclopropyl-propanoyl]amino]-4-cyclopropyl-2-oxo-butanoyl]amino]acetyl]amino]-2-phenyl-acetic acid
- (2s)-2-[[2-[[(3s)-3-[[(2s)-2-[[(2s)-2-cyclohexyl-2-[(isobutoxy-oxomethyl)amino]-1-oxoethyl]amino]-3-cyclopropyl-1-oxopropyl]amino]-4-cyclopropyl-1,2-dioxobutyl]amino]-1-oxoethyl]amino]-2-phenylacetic acid
- [(n-{3-[(n-{cyclohexyl[(isobutoxycarbonyl)amino]acetyl}-3-cyclopropylalanyl)amino]-4-cyclopropyl-2-oxobutanoyl}glycyl)amino](phenyl)acetic acid
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InChIKey |
VZZMJPCOMQVXJP-ZHTHUIBPSA-N |
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