Chemical Component Summary

NameD-phenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide
Identifiers(2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]-N-[[2,5-bis(chloranyl)phenyl]methyl]pyrrolidine-2-carboxamide
FormulaC21 H23 Cl2 N3 O2
Molecular Weight420.332
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3Cl)Cl)N
InChIInChI=1S/C21H23Cl2N3O2/c22-16-8-9-17(23)15(12-16)13-25-20(27)19-7-4-10-26(19)21(28)18(24)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,12,18-19H,4,7,10-11,13,24H2,(H,25,27)/t18-,19+/m1/s1
InChIKeyXSOBNETYEYXSCD-MOPGFXCFSA-N

Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count2
Bond Count53
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL2152433
PubChem 71449446
ChEMBL CHEMBL2152433