Chemical Component Summary

Namebeta-phenyl-D-phenylalanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
Identifiers(2S)-1-[(2R)-2-azanyl-3,3-diphenyl-propanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
FormulaC28 H31 N5 O2
Molecular Weight469.578
TypePEPTIDE-LIKE
Isomeric SMILES[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(c3ccccc3)c4ccccc4)N)\N
InChIInChI=1S/C28H31N5O2/c29-25(24(20-8-3-1-4-9-20)21-10-5-2-6-11-21)28(35)33-17-7-12-23(33)27(34)32-18-19-13-15-22(16-14-19)26(30)31/h1-6,8-11,13-16,23-25H,7,12,17-18,29H2,(H3,30,31)(H,32,34)/t23-,25+/m0/s1
InChIKeyODAPDZPYLPTJOD-UKILVPOCSA-N
CompositionPolymer Sequences: 00O-PRO-00S
BIRD classTHROMBIN INHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count2
Bond Count69
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 10116069
ChEMBL CHEMBL1200085