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-[(2,4-dimethylphenyl)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-[(2,4-dimethylphenyl)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-[(2,4-dimethylbenzoyl)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-2-[[(2,4-dimethylphenyl)-oxomethyl]amino]-1-oxoethyl]-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-[(2,4-dimethylbenzoyl)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-[(2,4-dimethylbenzoyl)amino]acetyl]pyrrolidine-2-carboxamide Formula: C45H56N6O8 MolecularWeight: 808.96154

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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=C(C=C(C=C4)C)C)OCC5=CC=CC=C5

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=C(C=C(C=C4)C)C)OCC5=CC=CC=C5

InChI

InChI=1S/C45H56N6O8/c1-4-14-35(40(53)44(57)47-25-37(52)49-38(41(46)54)31-17-10-6-11-18-31)48-43(56)36-24-33(59-27-30-15-8-5-9-16-30)26-51(36)45(58)39(32-19-12-7-13-20-32)50-42(55)34-22-21-28(2)23-29(34)3/h5-6,8-11,15-18,21-23,32-33,35-36,38-39H,4,7,12-14,19-20,24-27H2,1-3H3,(H2,46,54)(H,47,57)(H,48,56)(H,49,52)(H,50,55)