(phenylmethyl) 2-[[3-[[3-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-3-azabicyclo[2.2.1]heptan-2-yl]carbonylamino]-2-oxidanylidene-hexanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[3-[[3-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-3-azabicyclo[2.2.1]heptan-2-yl]carbonylamino]-2-oxidanylidene-hexanoyl]amino]ethanoate Openeye Name: benzyl 2-[[3-[[3-[2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]-3-azabicyclo[2.2.1]heptane-2-carbonyl]amino]-2-oxo-hexanoyl]amino]acetate CAS Name: 2-[[3-[[[3-[2-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]-3-azabicyclo[2.2.1]heptan-2-yl]-oxomethyl]amino]-1,2-dioxohexyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-[[3-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-3-azabicyclo[2.2.1]heptane-2-carbonyl]amino]-2-oxohexanoyl]amino]acetate Traditional Name: 2-[[3-[[3-[2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]-3-azabicyclo[2.2.1]heptane-2-carbonyl]amino]-2-keto-hexanoyl]amino]acetic acid benzyl ester Formula: C35H50N4O8 MolecularWeight: 654.7935

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)C2C3CCC(C3)N2C(=O)C(C4CCCCC4)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)C2C3CCC(C3)N2C(=O)C(C4CCCCC4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C35H50N4O8/c1-5-12-26(30(41)32(43)36-20-27(40)46-21-22-13-8-6-9-14-22)37-31(42)29-24-17-18-25(19-24)39(29)33(44)28(23-15-10-7-11-16-23)38-34(45)47-35(2,3)4/h6,8-9,13-14,23-26,28-29H,5,7,10-12,15-21H2,1-4H3,(H,36,43)(H,37,42)(H,38,45)