Chemical Component Summary

Name(R)-2-(3-ADAMANTAN-1-YL-UREIDO)-3-(3-CARBAMIMIDOYL-PHENYL)-N-PHENETHYL-PROPIONAMIDE
Identifiers(2R)-2-(1-adamantylcarbamoylamino)-3-(3-carbamimidoylphenyl)-N-phenethyl-propanamide
FormulaC29 H37 N5 O2
Molecular Weight487.636
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)CCNC(=O)[C@@H](Cc2cccc(c2)C(=N)N)NC(=O)NC34CC5CC(C3)CC(C5)C4
InChIInChI=1S/C29H37N5O2/c30-26(31)24-8-4-7-20(14-24)15-25(27(35)32-10-9-19-5-2-1-3-6-19)33-28(36)34-29-16-21-11-22(17-29)13-23(12-21)18-29/h1-8,14,21-23,25H,9-13,15-18H2,(H3,30,31)(H,32,35)(H2,33,34,36)/t21-,22+,23-,25-,29-/m1/s1
InChIKeyQYKLXCYULDLMPX-ZEFMGYOLSA-N

Chemical Details

Formal Charge0
Atom Count73
Chiral Atom Count1
Bond Count77
Aromatic Bond Count12