0PQ

N-{(2R)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine


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Chemical Component Summary

NameN-{(2R)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine
Identifiers(2S)-2-[[(2S)-2-[[[(1R)-1-azanyl-2-phenyl-ethyl]-hydroxy-phosphoryl]methyl]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
FormulaC27 H31 N2 O5 P
Molecular Weight494.519
TypePEPTIDE-LIKE
Isomeric SMILESc1ccc(cc1)C[C@H](C[P@@](=O)([C@H](Cc2ccccc2)N)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O
InChIInChI=1S/C27H31N2O5P/c28-25(18-22-14-8-3-9-15-22)35(33,34)19-23(16-20-10-4-1-5-11-20)26(30)29-24(27(31)32)17-21-12-6-2-7-13-21/h1-15,23-25H,16-19,28H2,(H,29,30)(H,31,32)(H,33,34)/t23-,24+,25-/m1/s1
InChIKeyXNPYGVCNHOXQRJ-DSNGMDLFSA-N

Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count3
Bond Count68
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 58263407, 5289194