K26

N-ACETYL-L-ILE-L-TYR-(R)-1-AMINO-2-(4-HYDROXYPHENYL)ETHYLPHOSPHONIC ACID


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Chemical Component Summary

NameN-ACETYL-L-ILE-L-TYR-(R)-1-AMINO-2-(4-HYDROXYPHENYL)ETHYLPHOSPHONIC ACID
Identifiers[(1R)-1-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-2-(4-hydroxyphenyl)ethyl]phosphonic acid
FormulaC25 H34 N3 O8 P
Molecular Weight535.527
TypeNON-POLYMER
Isomeric SMILESCC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)O)P(=O)(O)O)NC(=O)C
InChIInChI=1S/C25H34N3O8P/c1-4-15(2)23(26-16(3)29)25(33)27-21(13-17-5-9-19(30)10-6-17)24(32)28-22(37(34,35)36)14-18-7-11-20(31)12-8-18/h5-12,15,21-23,30-31H,4,13-14H2,1-3H3,(H,26,29)(H,27,33)(H,28,32)(H2,34,35,36)/t15-,21-,22+,23-/m0/s1
InChIKeyZFRNBYWFOLDQKG-FDMHNHSTSA-N

Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count4
Bond Count72
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL1233799
PubChem 18608377
ChEMBL CHEMBL1233799