Formula |
C29H42N4O7 |
IUPAC Name |
ethyl (e,4s)-4-[[(2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-2-phenyl-acetyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate |
Molecular Mass |
558.666 g·mol−1 |
Heat of Formation |
-1339.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.44 ± 1.08 D |
Volume |
697.44 Å 3 |
Surface Area |
594.83 Å 2 |
HOMO Energy |
-9.53 ± 0.55 eV |
LUMO Energy |
2.77 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (e,4s)-4-[[(2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-2-phenyl-acetyl]amino]-5-[(3s)-2-ketopyrrolidin-3-yl]pent-2-enoic acid ethyl ester
- (e,4s)-4-[[(2s)-2-[[(2s)-2-[(tert-butoxy-oxomethyl)amino]-3-methyl-1-oxobutyl]amino]-1-oxo-2-phenylethyl]amino]-5-[(3s)-2-oxo-3-pyrrolidinyl]pent-2-enoic acid ethyl ester
- ethyl (e,4s)-4-[[(2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-2-phenyl-acetyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
- ethyl (e,4s)-4-[[(2s)-2-[[(2s)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-2-phenyl-ethanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
- ethyl (e,4s)-4-[[(2s)-2-[[(2s)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-2-phenylacetyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
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InChIKey |
NUDVEHBHDBJSMD-FORQOIBDSA-N |
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Elements |
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