(phenylmethyl) 2-cyclohexyl-2-[2-[[3-[[1-[2-cyclohexyl-2-(2-methylpropoxycarbonylamino)ethanoyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-2-oxidanylidene-hexanoyl]amino]ethanoylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-cyclohexyl-2-[2-[[3-[[1-[2-cyclohexyl-2-(2-methylpropoxycarbonylamino)ethanoyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-2-oxidanylidene-hexanoyl]amino]ethanoylamino]ethanoate Openeye Name: benzyl 2-cyclohexyl-2-[[2-[[3-[[1-[2-cyclohexyl-2-(isobutoxycarbonylamino)acetyl]-4-phenyl-pyrrolidine-2-carbonyl]amino]-2-oxo-hexanoyl]amino]acetyl]amino]acetate CAS Name: 2-cyclohexyl-2-[[2-[[3-[[[1-[2-cyclohexyl-2-[[2-methylpropoxy(oxo)methyl]amino]-1-oxoethyl]-4-phenyl-2-pyrrolidinyl]-oxomethyl]amino]-1,2-dioxohexyl]amino]-1-oxoethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-cyclohexyl-2-[[2-[[3-[[1-[2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-4-phenylpyrrolidine-2-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]acetate Traditional Name: 2-cyclohexyl-2-[[2-[[3-[[1-[2-cyclohexyl-2-(isobutoxycarbonylamino)acetyl]-4-phenyl-prolyl]amino]-2-keto-hexanoyl]amino]acetyl]amino]acetic acid benzyl ester Formula: C47H65N5O9 MolecularWeight: 844.0471

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)NC(C1CCCCC1)C(=O)OCC2=CC=CC=C2)NC(=O)C3CC(CN3C(=O)C(C4CCCCC4)NC(=O)OCC(C)C)C5=CC=CC=C5

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)NC(C1CCCCC1)C(=O)OCC2=CC=CC=C2)NC(=O)C3CC(CN3C(=O)C(C4CCCCC4)NC(=O)OCC(C)C)C5=CC=CC=C5

InChI

InChI=1S/C47H65N5O9/c1-4-17-37(42(54)44(56)48-27-39(53)50-41(35-24-15-8-16-25-35)46(58)60-30-32-18-9-5-10-19-32)49-43(55)38-26-36(33-20-11-6-12-21-33)28-52(38)45(57)40(34-22-13-7-14-23-34)51-47(59)61-29-31(2)3/h5-6,9-12,18-21,31,34-38,40-41H,4,7-8,13-17,22-30H2,1-3H3,(H,48,56)(H,49,55)(H,50,53)(H,51,59)