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-(2-cyclohexylethanoylamino)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-(2-cyclohexylethanoylamino)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-[(2-cyclohexylacetyl)amino]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-2-[(2-cyclohexyl-1-oxoethyl)amino]-1-oxoethyl]-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-[(2-cyclohexylacetyl)amino]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-[(2-cyclohexylacetyl)amino]acetyl]pyrrolidine-2-carboxamide Formula: C42H64N6O8 MolecularWeight: 780.99296

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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)CC3CCCCC3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC(C(=O)N)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/C42H64N6O8/c1-3-5-22-33(39(43)52)45-36(50)25-44-41(54)38(51)32(15-4-2)46-40(53)34-24-31(56-27-29-18-11-7-12-19-29)26-48(34)42(55)37(30-20-13-8-14-21-30)47-35(49)23-28-16-9-6-10-17-28/h7,11-12,18-19,28,30-34,37H,3-6,8-10,13-17,20-27H2,1-2H3,(H2,43,52)(H,44,54)(H,45,50)(H,46,53)(H,47,49)