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

Systemtic Name: (phenylmethyl) 3-[[3-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-3-azabicyclo[2.2.1]heptan-2-yl]carbonylamino]-2-oxidanylidene-hexanoate Openeye Name: benzyl 3-[[3-[2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]-3-azabicyclo[2.2.1]heptane-2-carbonyl]amino]-2-oxo-hexanoate CAS Name: 3-[[[3-[2-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]-3-azabicyclo[2.2.1]heptan-2-yl]-oxomethyl]amino]-2-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[3-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-3-azabicyclo[2.2.1]heptane-2-carbonyl]amino]-2-oxohexanoate Traditional Name: 3-[[3-[2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]-3-azabicyclo[2.2.1]heptane-2-carbonyl]amino]-2-keto-hexanoic acid benzyl ester Formula: C33H47N3O7 MolecularWeight: 597.74218

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H47N3O7/c1-5-12-25(28(37)31(40)42-20-21-13-8-6-9-14-21)34-29(38)27-23-17-18-24(19-23)36(27)30(39)26(22-15-10-7-11-16-22)35-32(41)43-33(2,3)4/h6,8-9,13-14,22-27H,5,7,10-12,15-20H2,1-4H3,(H,34,38)(H,35,41)