(phenylmethyl) 2-cyclohexyl-2-[2-[[3-[[1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]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-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-2-oxidanylidene-hexanoyl]amino]ethanoylamino]ethanoate Openeye Name: benzyl 2-[[2-[[3-[[1-[2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]-4-phenyl-pyrrolidine-2-carbonyl]amino]-2-oxo-hexanoyl]amino]acetyl]amino]-2-cyclohexyl-acetate CAS Name: 2-cyclohexyl-2-[[2-[[3-[[[1-[2-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]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-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-phenylpyrrolidine-2-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[3-[[1-[2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]-4-phenyl-prolyl]amino]-2-keto-hexanoyl]amino]acetyl]amino]-2-cyclohexyl-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)OC(C)(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)OC(C)(C)C)C5=CC=CC=C5

InChI

InChI=1S/C47H65N5O9/c1-5-18-36(41(54)43(56)48-28-38(53)50-40(34-25-16-9-17-26-34)45(58)60-30-31-19-10-6-11-20-31)49-42(55)37-27-35(32-21-12-7-13-22-32)29-52(37)44(57)39(33-23-14-8-15-24-33)51-46(59)61-47(2,3)4/h6-7,10-13,19-22,33-37,39-40H,5,8-9,14-18,23-30H2,1-4H3,(H,48,56)(H,49,55)(H,50,53)(H,51,59)