N-[1-[[2-[(1-azanyl-1-oxidanylidene-hexan-2-yl)amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]-1-[2-cyclohexyl-2-(3,3-diphenylpropanoylamino)ethanoyl]-4-phenylmethoxy-pyrrolidine-2-carboxamide

Systemtic Name: N-[1-[[2-[(1-azanyl-1-oxidanylidene-hexan-2-yl)amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]-1-[2-cyclohexyl-2-(3,3-diphenylpropanoylamino)ethanoyl]-4-phenylmethoxy-pyrrolidine-2-carboxamide Openeye Name: 4-benzyloxy-N-[1-[2-[[2-(1-carbamoylpentylamino)-2-oxo-ethyl]amino]-2-oxo-acetyl]butyl]-1-[2-cyclohexyl-2-(3,3-diphenylpropanoylamino)acetyl]pyrrolidine-2-carboxamide CAS Name: N-[1-[[2-[(1-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-[2-cyclohexyl-1-oxo-2-[(1-oxo-3,3-diphenylpropyl)amino]ethyl]-4-phenylmethoxy-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[[2-[(1-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-[2-cyclohexyl-2-(3,3-diphenylpropanoylamino)acetyl]-4-phenylmethoxypyrrolidine-2-carboxamide Traditional Name: 4-benzoxy-N-[1-[2-[[2-(1-carbamoylpentylamino)-2-keto-ethyl]amino]-2-keto-acetyl]butyl]-1-[2-cyclohexyl-2-(3,3-diphenylpropanoylamino)acetyl]pyrrolidine-2-carboxamide Formula: C49H64N6O8 MolecularWeight: 865.06786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N)NC(=O)CNC(=O)C(=O)C(CCC)NC(=O)C1CC(CN1C(=O)C(C2CCCCC2)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCCCC(C(=O)N)NC(=O)CNC(=O)C(=O)C(CCC)NC(=O)C1CC(CN1C(=O)C(C2CCCCC2)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C49H64N6O8/c1-3-5-27-40(46(50)59)52-43(57)30-51-48(61)45(58)39(18-4-2)53-47(60)41-28-37(63-32-33-19-10-6-11-20-33)31-55(41)49(62)44(36-25-16-9-17-26-36)54-42(56)29-38(34-21-12-7-13-22-34)35-23-14-8-15-24-35/h6-8,10-15,19-24,36-41,44H,3-5,9,16-18,25-32H2,1-2H3,(H2,50,59)(H,51,61)(H,52,57)(H,53,60)(H,54,56)