Formula |
C30H31N5O5S |
IUPAC Name |
(3s)-4-oxo-3-[[(2s)-6-[[4-(quinoxalin-2-ylamino)benzoyl]amino]-2-(2-thienyl)hexanoyl]amino]pentanoic acid |
Molecular Mass |
573.663 g·mol−1 |
Heat of Formation |
-518.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.67 ± 1.08 D |
Volume |
676.65 Å 3 |
Surface Area |
569.76 Å 2 |
HOMO Energy |
-8.72 ± 0.55 eV |
LUMO Energy |
-1.15 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (3s)-4-keto-3-[[(2s)-6-[[4-(quinoxalin-2-ylamino)benzoyl]amino]-2-(2-thienyl)hexanoyl]amino]valeric acid
- (3s)-4-oxo-3-[[(2s)-1-oxo-6-[[oxo-[4-(2-quinoxalinylamino)phenyl]methyl]amino]-2-(2-thienyl)hexyl]amino]pentanoic acid
- (3s)-4-oxo-3-[[(2s)-6-[[4-(quinoxalin-2-ylamino)benzoyl]amino]-2-(2-thienyl)hexanoyl]amino]pentanoic acid
- (3s)-4-oxo-3-[[(2s)-6-[[4-(quinoxalin-2-ylamino)benzoyl]amino]-2-thiophen-2-ylhexanoyl]amino]pentanoic acid
- (3s)-4-oxo-3-[[(2s)-6-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]-2-thiophen-2-yl-hexanoyl]amino]pentanoic acid
- 4-oxo-3-{6-[4-(quinoxalin-2-ylamino)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-pentanoic acid
- bth
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InChIKey |
FDQYFIJPZTYCIY-RDGATRHJSA-N |
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Elements |
H
C
S
O
N
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