N-[4-[cyclohexylmethyl-[(phenylmethyl)carbamoylamino]amino]-1-phenyl-butyl]-2-oxidanyl-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: N-[4-[cyclohexylmethyl-[(phenylmethyl)carbamoylamino]amino]-1-phenyl-butyl]-2-oxidanyl-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[4-[(benzylcarbamoylamino)-(cyclohexylmethyl)amino]-1-phenyl-butyl]-2-hydroxy-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[4-[cyclohexylmethyl-[[oxo-[(phenylmethyl)amino]methyl]amino]amino]-1-phenylbutyl]-2-hydroxy-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[4-[(benzylcarbamoylamino)-(cyclohexylmethyl)amino]-1-phenylbutyl]-2-hydroxy-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[4-[(benzylcarbamoylamino)-(cyclohexylmethyl)amino]-1-phenyl-butyl]-2-hydroxy-2-(quinaldoylamino)succinamide Formula: C39H47N7O5 MolecularWeight: 693.83438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(CCCC(C2=CC=CC=C2)NC(=O)C(CC(=O)N)(NC(=O)C3=NC4=CC=CC=C4C=C3)O)NC(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CN(CCCC(C2=CC=CC=C2)NC(=O)C(CC(=O)N)(NC(=O)C3=NC4=CC=CC=C4C=C3)O)NC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C39H47N7O5/c40-35(47)25-39(51,44-36(48)34-23-22-31-19-10-11-20-32(31)42-34)37(49)43-33(30-17-8-3-9-18-30)21-12-24-46(27-29-15-6-2-7-16-29)45-38(50)41-26-28-13-4-1-5-14-28/h1,3-5,8-11,13-14,17-20,22-23,29,33,51H,2,6-7,12,15-16,21,24-27H2,(H2,40,47)(H,43,49)(H,44,48)(H2,41,45,50)