3-(aminomethyl)-N-[1-[[1-[[1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]amino]-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]-methyl-amino]-1-oxidanylidene-3-(4-phenylphenyl)propan-2-yl]benzamide

Systemtic Name: 3-(aminomethyl)-N-[1-[[1-[[1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]amino]-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]-methyl-amino]-1-oxidanylidene-3-(4-phenylphenyl)propan-2-yl]benzamide Openeye Name: N-[2-[[2-[(5-amino-1-carbamoyl-pentyl)amino]-1-[(4-fluorophenyl)methyl]-2-oxo-ethyl]-methyl-amino]-2-oxo-1-[(4-phenylphenyl)methyl]ethyl]-3-(aminomethyl)benzamide CAS Name: 3-(aminomethyl)-N-[1-[[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]benzamide IUPAC Name: 3-(aminomethyl)-N-[1-[[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]benzamide Traditional Name: N-[2-[[2-[(5-amino-1-carbamoyl-pentyl)amino]-1-(4-fluorobenzyl)-2-keto-ethyl]-methyl-amino]-2-keto-1-(4-phenylbenzyl)ethyl]-3-(aminomethyl)benzamide Formula: C39H45FN6O4 MolecularWeight: 680.810803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)F)C(=O)NC(CCCCN)C(=O)N)C(=O)C(CC2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)CN

Isomeric SMILES

CN(C(CC1=CC=C(C=C1)F)C(=O)NC(CCCCN)C(=O)N)C(=O)C(CC2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)CN

InChI

InChI=1S/C39H45FN6O4/c1-46(35(24-27-15-19-32(40)20-16-27)38(49)44-33(36(43)47)12-5-6-21-41)39(50)34(45-37(48)31-11-7-8-28(22-31)25-42)23-26-13-17-30(18-14-26)29-9-3-2-4-10-29/h2-4,7-11,13-20,22,33-35H,5-6,12,21,23-25,41-42H2,1H3,(H2,43,47)(H,44,49)(H,45,48)