methyl 2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-5-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: methyl 2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-5-(phenylmethoxycarbonylamino)pentanoate Openeye Name: methyl 5-(benzyloxycarbonylamino)-2-[isobutyl(p-tolylsulfonyl)amino]pentanoate CAS Name: 2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-5-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-5-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 5-(benzyloxycarbonylamino)-2-[isobutyl(tosyl)amino]valeric acid methyl ester Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCNC(=O)OCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCNC(=O)OCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C25H34N2O6S/c1-19(2)17-27(34(30,31)22-14-12-20(3)13-15-22)23(24(28)32-4)11-8-16-26-25(29)33-18-21-9-6-5-7-10-21/h5-7,9-10,12-15,19,23H,8,11,16-18H2,1-4H3,(H,26,29)