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

Systemtic Name: 3-(aminomethyl)-N-[1-[[1-[[6-azanyl-1-(dimethylamino)-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-amino]-1-oxidanylidene-3-(4-phenylphenyl)propan-2-yl]-N-methyl-benzamide Openeye Name: N-[2-[[2-[[5-amino-1-(dimethylcarbamoyl)pentyl]amino]-1-benzyl-2-oxo-ethyl]-methyl-amino]-2-oxo-1-[(4-phenylphenyl)methyl]ethyl]-3-(aminomethyl)-N-methyl-benzamide CAS Name: N-[1-[[1-[[6-amino-1-(dimethylamino)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]-3-(aminomethyl)-N-methylbenzamide IUPAC Name: N-[1-[[1-[[6-amino-1-(dimethylamino)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]-3-(aminomethyl)-N-methylbenzamide Traditional Name: N-[2-[[2-[[5-amino-1-(dimethylcarbamoyl)pentyl]amino]-1-benzyl-2-keto-ethyl]-methyl-amino]-2-keto-1-(4-phenylbenzyl)ethyl]-3-(aminomethyl)-N-methyl-benzamide Formula: C42H52N6O4 MolecularWeight: 704.90008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H52N6O4/c1-46(2)41(51)36(20-11-12-25-43)45-39(49)37(27-30-14-7-5-8-15-30)47(3)42(52)38(48(4)40(50)35-19-13-16-32(26-35)29-44)28-31-21-23-34(24-22-31)33-17-9-6-10-18-33/h5-10,13-19,21-24,26,36-38H,11-12,20,25,27-29,43-44H2,1-4H3,(H,45,49)