Formula |
C26H39N4O10P |
IUPAC Name |
(4s)-4-[[(2s)-2-acetamido-3-(4-dihydroxyphosphoryloxyphenyl)propanoyl]amino]-5-[[(1r)-1-carbamoyl-3-cyclohexyl-propyl]amino]-5-oxo-pentanoic acid |
Molecular Mass |
598.582 g·mol−1 |
Heat of Formation |
-2289.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.72 ± 1.08 D |
Volume |
695.38 Å 3 |
Surface Area |
591.18 Å 2 |
HOMO Energy |
-8.92 ± 0.55 eV |
LUMO Energy |
-0.46 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (4s)-4-[[(2s)-2-acetamido-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]-5-[[(1r)-1-carbamoyl-3-cyclohexylpropyl]amino]-5-oxopentanoic acid
- (4s)-4-[[(2s)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(1r)-1-carbamoyl-3-cyclohexyl-propyl]amino]-5-keto-valeric acid
- (4s)-4-[[(2s)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(1r)-1-carbamoyl-3-cyclohexyl-propyl]amino]-5-oxo-pentanoic acid
- (4s)-4-[[(2s)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(2r)-1-amino-4-cyclohexyl-1-oxo-butan-2-yl]amino]-5-oxo-pentanoic acid
- (4s)-4-[[(2s)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(2r)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
- 1c5
- [[o-phosphono-n-acetyl-tyrosinyl]-glutamyl-3[cyclohexylmethyl]alaninyl]-amine
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InChIKey |
MYZLOAXXVDGNMQ-FSSWDIPSSA-N |
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Links |
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Elements |
P
C
H
O
N
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