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

Systemtic Name: N-[1-[[2-[[1-[(1-azanyl-1-oxidanylidene-hexan-2-yl)amino]-1-oxidanylidene-hexan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]-1-[2-cyclohexyl-2-(2-cyclohexylethanoylamino)ethanoyl]-4-phenylmethoxy-pyrrolidine-2-carboxamide Openeye Name: 4-benzyloxy-N-[1-[2-[[2-[1-(1-carbamoylpentylcarbamoyl)pentylamino]-2-oxo-ethyl]amino]-2-oxo-acetyl]butyl]-1-[2-cyclohexyl-2-[(2-cyclohexylacetyl)amino]acetyl]pyrrolidine-2-carboxamide CAS Name: N-[1-[[2-[[1-[(1-amino-1-oxohexan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-[2-cyclohexyl-2-[(2-cyclohexyl-1-oxoethyl)amino]-1-oxoethyl]-4-phenylmethoxy-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[[2-[[1-[(1-amino-1-oxohexan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-[2-cyclohexyl-2-[(2-cyclohexylacetyl)amino]acetyl]-4-phenylmethoxypyrrolidine-2-carboxamide Traditional Name: 4-benzoxy-N-[1-[2-[[2-[1-(1-carbamoylpentylcarbamoyl)pentylamino]-2-keto-ethyl]amino]-2-keto-acetyl]butyl]-1-[2-cyclohexyl-2-[(2-cyclohexylacetyl)amino]acetyl]pyrrolidine-2-carboxamide Formula: C48H75N7O9 MolecularWeight: 894.1506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N)NC(=O)C(CCCC)NC(=O)CNC(=O)C(=O)C(CCC)NC(=O)C1CC(CN1C(=O)C(C2CCCCC2)NC(=O)CC3CCCCC3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC(C(=O)N)NC(=O)C(CCCC)NC(=O)CNC(=O)C(=O)C(CCC)NC(=O)C1CC(CN1C(=O)C(C2CCCCC2)NC(=O)CC3CCCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C48H75N7O9/c1-4-7-25-37(44(49)59)53-45(60)38(26-8-5-2)51-41(57)29-50-47(62)43(58)36(18-6-3)52-46(61)39-28-35(64-31-33-21-14-10-15-22-33)30-55(39)48(63)42(34-23-16-11-17-24-34)54-40(56)27-32-19-12-9-13-20-32/h10,14-15,21-22,32,34-39,42H,4-9,11-13,16-20,23-31H2,1-3H3,(H2,49,59)(H,50,62)(H,51,57)(H,52,61)(H,53,60)(H,54,56)