2-azanyl-N-[1-[[1-[(1-azanyl-1-oxidanylidene-propan-2-yl)amino]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]-3-cyclohexyl-2-(1H-indol-3-ylmethyl)-3-oxidanylidene-propanamide

Systemtic Name: 2-azanyl-N-[1-[[1-[(1-azanyl-1-oxidanylidene-propan-2-yl)amino]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]-3-cyclohexyl-2-(1H-indol-3-ylmethyl)-3-oxidanylidene-propanamide Openeye Name: 2-amino-N-[2-[[2-[(2-amino-1-methyl-2-oxo-ethyl)amino]-1-[(4-benzyloxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(benzyloxymethyl)-2-oxo-ethyl]-3-cyclohexyl-2-(1H-indol-3-ylmethyl)-3-oxo-propanamide CAS Name: 2-amino-N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-3-cyclohexyl-2-(1H-indol-3-ylmethyl)-3-oxopropanamide IUPAC Name: 2-amino-N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-3-cyclohexyl-2-(1H-indol-3-ylmethyl)-3-oxopropanamide Traditional Name: 2-amino-N-[2-[[2-[(2-amino-2-keto-1-methyl-ethyl)amino]-1-(4-benzoxybenzyl)-2-keto-ethyl]amino]-1-(benzoxymethyl)-2-keto-ethyl]-3-cyclohexyl-2-(1H-indol-3-ylmethyl)-3-keto-propionamide Formula: C47H54N6O7 MolecularWeight: 814.96766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C(COCC3=CC=CC=C3)NC(=O)C(CC4=CNC5=CC=CC=C54)(C(=O)C6CCCCC6)N

Isomeric SMILES

CC(C(=O)N)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C(COCC3=CC=CC=C3)NC(=O)C(CC4=CNC5=CC=CC=C54)(C(=O)C6CCCCC6)N

InChI

InChI=1S/C47H54N6O7/c1-31(43(48)55)51-44(56)40(25-32-21-23-37(24-22-32)60-29-34-15-7-3-8-16-34)52-45(57)41(30-59-28-33-13-5-2-6-14-33)53-46(58)47(49,42(54)35-17-9-4-10-18-35)26-36-27-50-39-20-12-11-19-38(36)39/h2-3,5-8,11-16,19-24,27,31,35,40-41,50H,4,9-10,17-18,25-26,28-30,49H2,1H3,(H2,48,55)(H,51,56)(H,52,57)(H,53,58)