(phenylmethyl) 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-nitro-5-phenyl-hexanoate

Systemtic Name: (phenylmethyl) 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-nitro-5-phenyl-hexanoate Openeye Name: benzyl 2-[bis(tert-butoxycarbonyl)amino]-6-nitro-5-phenyl-hexanoate CAS Name: 2-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-nitro-5-phenylhexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-nitro-5-phenylhexanoate Traditional Name: 2-[bis(tert-butoxycarbonyl)amino]-6-nitro-5-phenyl-hexanoic acid benzyl ester Formula: C29H38N2O8 MolecularWeight: 542.62062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(CCC(C[N+](=O)[O-])C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(C(CCC(C[N+](=O)[O-])C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H38N2O8/c1-28(2,3)38-26(33)31(27(34)39-29(4,5)6)24(25(32)37-20-21-13-9-7-10-14-21)18-17-23(19-30(35)36)22-15-11-8-12-16-22/h7-16,23-24H,17-20H2,1-6H3