tert-butyl 2-methyl-3-(4-methylphenyl)sulfonyloxy-7-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]heptanoate

Systemtic Name: tert-butyl 2-methyl-3-(4-methylphenyl)sulfonyloxy-7-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]heptanoate Openeye Name: tert-butyl 7-[benzyl(tert-butoxycarbonyl)amino]-2-methyl-3-(p-tolylsulfonyloxy)heptanoate CAS Name: 2-methyl-3-(4-methylphenyl)sulfonyloxy-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-(4-methylphenyl)sulfonyloxyheptanoate Traditional Name: 7-[benzyl(tert-butoxycarbonyl)amino]-2-methyl-3-tosyloxy-enanthic acid tert-butyl ester Formula: C31H45NO7S MolecularWeight: 575.7565

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCN(CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCN(CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H45NO7S/c1-23-17-19-26(20-18-23)40(35,36)39-27(24(2)28(33)37-30(3,4)5)16-12-13-21-32(29(34)38-31(6,7)8)22-25-14-10-9-11-15-25/h9-11,14-15,17-20,24,27H,12-13,16,21-22H2,1-8H3