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-phenylbutanoylamino)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-phenylbutanoylamino)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-phenylbutanoylamino)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-phenylbutyl)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-phenylbutanoylamino)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-phenylbutanoylamino)acetyl]pyrrolidine-2-carboxamide Formula: C44H62N6O8 MolecularWeight: 802.99848

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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(C)C3=CC=CC=C3)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)CC(C)C3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C44H62N6O8/c1-4-6-23-35(41(45)54)47-38(52)26-46-43(56)40(53)34(16-5-2)48-42(55)36-25-33(58-28-30-17-10-7-11-18-30)27-50(36)44(57)39(32-21-14-9-15-22-32)49-37(51)24-29(3)31-19-12-8-13-20-31/h7-8,10-13,17-20,29,32-36,39H,4-6,9,14-16,21-28H2,1-3H3,(H2,45,54)(H,46,56)(H,47,52)(H,48,55)(H,49,51)