Chemical Component Summary

NameO-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-L-PHENYLLACTATE
Identifiers(2S)-2-[hydroxy-[[[(2S)-2-phenylmethoxycarbonylaminopropanoyl]amino]methyl]phosphoryl]oxy-3-phenyl-propanoic acid
FormulaC21 H25 N2 O8 P
Molecular Weight464.406
TypeNON-POLYMER
Isomeric SMILESC[C@@H](C(=O)NC[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2
InChIInChI=1S/C21H25N2O8P/c1-15(23-21(27)30-13-17-10-6-3-7-11-17)19(24)22-14-32(28,29)31-18(20(25)26)12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,22,24)(H,23,27)(H,25,26)(H,28,29)/t15-,18-/m0/s1
InChIKeyICACWKLCNCPHAM-YJBOKZPZSA-N

Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count3
Bond Count58
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB07351 
NameO-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-L-PHENYLLACTATE
Groups experimental
SynonymsO-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-L-PHENYLLACTATE

Drug Targets

NameTarget SequencePharmacological ActionActions
Carboxypeptidase A1MRGLLVLSVLLGAVFGKEDFVGHQVLRISVADEAQVQKVKELEDLEHLQL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 16741275