TJE

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


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Chemical Component Summary

Name(2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid
SynonymsAcetyl-Tyr-Ala-Y(PO2CH2)-homoPhe-OH
Identifiers(2S)-2-[[[(1R)-1-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]ethyl]-oxidanyl-phosphoryl]methyl]-4-phenyl-butanoic acid
FormulaC24 H31 N2 O7 P
Molecular Weight490.486
TypeNON-POLYMER
Isomeric SMILESC[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C)P(=O)(C[C@@H](CCc2ccccc2)C(=O)O)O
InChIInChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1
InChIKeyWUDUKXMVLMXYCW-ZNLUXHQJSA-N

Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count3
Bond Count66
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 112499886