Formula |
C25H28N4O7 |
IUPAC Name |
(4s)-4-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(1s)-1-carboxy-2-indol-1-ium-3-yl-ethyl]amino]-5-oxo-pentanoic acid |
Molecular Mass |
496.512 g·mol−1 |
Heat of Formation |
-1106.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.55 ± 1.08 D |
Volume |
603.67 Å 3 |
Surface Area |
453.14 Å 2 |
HOMO Energy |
-8.48 ± 0.55 eV |
LUMO Energy |
-0.04 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (4s)-4-[[(2s)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-[[(1s)-2-hydroxy-1-(1h-indol-3-ylmethyl)-2-oxoethyl]amino]-5-oxopentanoic acid
- (4s)-4-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(1s)-2-hydroxy-1-(1h-indol-3-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid
- (4s)-4-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(1s)-2-hydroxy-1-(1h-indol-3-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
- (4s)-4-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(2s)-1-hydroxy-3-(1h-indol-3-yl)-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
- (4s)-4-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(2s)-1-hydroxy-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- tyr-glu-trp
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InChIKey |
OSMTVLSRTQDWHJ-JBACZVJFSA-N |
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Elements |
H
C
O
N
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