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

Click to see the large picture

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

InChI

InChI=1S/C44H62N6O8/c1-4-7-24-35(40(45)53)47-37(51)26-46-43(56)39(52)34(17-5-2)48-42(55)36-25-32(58-28-29-18-11-8-12-19-29)27-50(36)44(57)38(31-22-15-10-16-23-31)49-41(54)33(6-3)30-20-13-9-14-21-30/h8-9,11-14,18-21,31-36,38H,4-7,10,15-17,22-28H2,1-3H3,(H2,45,53)(H,46,56)(H,47,51)(H,48,55)(H,49,54)