Chemical Component Summary

NameO-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID
Identifiers(2S)-2-[hydroxy-[(1R)-1-[[(2S)-2-phenylmethoxycarbonylaminopropanoyl]amino]ethyl]phosphoryl]oxy-3-phenyl-propanoic acid
FormulaC22 H27 N2 O8 P
Molecular Weight478.432
TypeNON-POLYMER
Isomeric SMILESC[C@@H](C(=O)N[C@@H](C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2
InChIInChI=1S/C22H27N2O8P/c1-15(23-22(28)31-14-18-11-7-4-8-12-18)20(25)24-16(2)33(29,30)32-19(21(26)27)13-17-9-5-3-6-10-17/h3-12,15-16,19H,13-14H2,1-2H3,(H,23,28)(H,24,25)(H,26,27)(H,29,30)/t15-,16+,19-/m0/s1
InChIKeyUPJNMOBJDSFRTI-FCEWJHQRSA-N

Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count4
Bond Count61
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB08762 
NameO-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID
Groups experimental
SynonymsO-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID

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 5492457