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

Systemtic Name: N-[1-[[2-[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]-1-[2-cyclohexyl-2-[(2-phenoxyphenyl)carbonylamino]ethanoyl]-4-phenylmethoxy-pyrrolidine-2-carboxamide Openeye Name: N-[1-[2-[[2-[(2-amino-2-oxo-1-phenyl-ethyl)amino]-2-oxo-ethyl]amino]-2-oxo-acetyl]butyl]-4-benzyloxy-1-[2-cyclohexyl-2-[(2-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide CAS Name: N-[1-[[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-[2-cyclohexyl-1-oxo-2-[[oxo-(2-phenoxyphenyl)methyl]amino]ethyl]-4-phenylmethoxy-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-[2-cyclohexyl-2-[(2-phenoxybenzoyl)amino]acetyl]-4-phenylmethoxypyrrolidine-2-carboxamide Traditional Name: N-[1-[2-[[2-[(2-amino-2-keto-1-phenyl-ethyl)amino]-2-keto-ethyl]amino]-2-keto-acetyl]butyl]-4-benzoxy-1-[2-cyclohexyl-2-[(2-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide Formula: C49H56N6O9 MolecularWeight: 873.00374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N)NC(=O)C2CC(CN2C(=O)C(C3CCCCC3)NC(=O)C4=CC=CC=C4OC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N)NC(=O)C2CC(CN2C(=O)C(C3CCCCC3)NC(=O)C4=CC=CC=C4OC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C49H56N6O9/c1-2-17-38(44(57)48(61)51-29-41(56)53-42(45(50)58)33-20-9-4-10-21-33)52-47(60)39-28-36(63-31-32-18-7-3-8-19-32)30-55(39)49(62)43(34-22-11-5-12-23-34)54-46(59)37-26-15-16-27-40(37)64-35-24-13-6-14-25-35/h3-4,6-10,13-16,18-21,24-27,34,36,38-39,42-43H,2,5,11-12,17,22-23,28-31H2,1H3,(H2,50,58)(H,51,61)(H,52,60)(H,53,56)(H,54,59)