Formula |
C27H31N5O5 |
IUPAC Name |
(3s)-3-[[(2r)-2-ethyl-6-[[4-(quinoxalin-2-ylamino)benzoyl]amino]hexanoyl]amino]-4-oxo-butanoic acid |
Molecular Mass |
505.566 g·mol−1 |
Heat of Formation |
-622.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
0.95 ± 1.08 D |
Volume |
617.76 Å 3 |
Surface Area |
538.94 Å 2 |
HOMO Energy |
-8.71 ± 0.55 eV |
LUMO Energy |
1.87 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (3s)-3-[[(2r)-2-ethyl-1-oxo-6-[[oxo-[4-(2-quinoxalinylamino)phenyl]methyl]amino]hexyl]amino]-4-oxobutanoic acid
- (3s)-3-[[(2r)-2-ethyl-6-[[4-(quinoxalin-2-ylamino)benzoyl]amino]hexanoyl]amino]-4-keto-butyric acid
- (3s)-3-[[(2r)-2-ethyl-6-[[4-(quinoxalin-2-ylamino)benzoyl]amino]hexanoyl]amino]-4-oxo-butanoic acid
- (3s)-3-[[(2r)-2-ethyl-6-[[4-(quinoxalin-2-ylamino)benzoyl]amino]hexanoyl]amino]-4-oxobutanoic acid
- (3s)-3-[[(2r)-2-ethyl-6-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]hexanoyl]amino]-4-oxo-butanoic acid
- 3-{2-ethyl-6-[4-(quinoxalin-2-ylamino)-benzoylamino]-hexanoylamino}-4-oxo-butyric acid
- 4qb
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InChIKey |
LFXGHNVCJJFHJJ-NQIIRXRSSA-N |
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Elements |
H
C
O
N
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