Chemical Component Summary

NameN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE
Identifiers(2S)-2-[[(2S)-3-phenyl-2-[[(2R)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoyl]amino]propanoic acid
FormulaC21 H24 N2 O4 S
Molecular Weight400.491
TypeNON-POLYMER
Isomeric SMILESC[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)S
InChIInChI=1S/C21H24N2O4S/c1-14(21(26)27)22-19(24)17(12-15-8-4-2-5-9-15)23-20(25)18(28)13-16-10-6-3-7-11-16/h2-11,14,17-18,28H,12-13H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t14-,17-,18+/m0/s1
InChIKeyCNILVMARPONFBX-JCGIZDLHSA-N

Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count3
Bond Count53
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB02558 
NameN-(3-Phenyl-2-Sulfanylpropanoyl)Phenylalanylalanine
Groups experimental
SynonymsN-(3-Phenyl-2-Sulfanylpropanoyl)Phenylalanylalanine

Drug Targets

NameTarget SequencePharmacological ActionActions
NeprilysinMGKSESQMDITDINTPKPKKKQRWTPLEISLSVLVLLLTIIAVTMIALYA...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 448249