(phenylmethyl) 2-[[3-[[3-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-3-azabicyclo[2.2.1]heptan-2-yl]carbonylamino]-2-oxidanylidene-hexanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[3-[[3-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-3-azabicyclo[2.2.1]heptan-2-yl]carbonylamino]-2-oxidanylidene-hexanoyl]amino]ethanoate Openeye Name: benzyl 2-[[3-[[3-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-3-azabicyclo[2.2.1]heptane-2-carbonyl]amino]-2-oxo-hexanoyl]amino]acetate CAS Name: 2-[[3-[[[3-[3,3-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-3-azabicyclo[2.2.1]heptan-2-yl]-oxomethyl]amino]-1,2-dioxohexyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-[[3-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-3-azabicyclo[2.2.1]heptane-2-carbonyl]amino]-2-oxohexanoyl]amino]acetate Traditional Name: 2-[[3-[[3-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-3-azabicyclo[2.2.1]heptane-2-carbonyl]amino]-2-keto-hexanoyl]amino]acetic acid benzyl ester Formula: C33H48N4O8 MolecularWeight: 628.75622

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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(C(C)(C)C)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(C(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C33H48N4O8/c1-8-12-23(26(39)29(41)34-18-24(38)44-19-20-13-10-9-11-14-20)35-28(40)25-21-15-16-22(17-21)37(25)30(42)27(32(2,3)4)36-31(43)45-33(5,6)7/h9-11,13-14,21-23,25,27H,8,12,15-19H2,1-7H3,(H,34,41)(H,35,40)(H,36,43)