LA9

(2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid


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Chemical Component Summary

Name(2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid
SynonymsAcetyl-Leu-Ala-y(PO2CH2)-homoPhe-OH
Identifiers(2S)-2-[[[(1R)-1-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]ethyl]-oxidanyl-phosphoryl]methyl]-4-phenyl-butanoic acid
FormulaC21 H33 N2 O6 P
Molecular Weight440.47
TypeNON-POLYMER
Isomeric SMILESC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C)P(=O)(C[C@@H](CCc1ccccc1)C(=O)O)O
InChIInChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1
InChIKeyPRXYUEILDUCTTM-QRQLOZEOSA-N

Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count3
Bond Count63
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 112499885