methyl (3S,4S)-6-methyl-4-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate

Systemtic Name: methyl (3S,4S)-6-methyl-4-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate Openeye Name: methyl (3S,4S)-3-(tert-butoxycarbonylamino)-6-methyl-4-(p-tolylsulfonylamino)heptanoate CAS Name: (3S,4S)-6-methyl-4-[(4-methylphenyl)sulfonylamino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl (3S,4S)-6-methyl-4-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate Traditional Name: (3S,4S)-3-(tert-butoxycarbonylamino)-6-methyl-4-(tosylamino)enanthic acid methyl ester Formula: C21H34N2O6S MolecularWeight: 442.56946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(CC(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H34N2O6S/c1-14(2)12-18(23-30(26,27)16-10-8-15(3)9-11-16)17(13-19(24)28-7)22-20(25)29-21(4,5)6/h8-11,14,17-18,23H,12-13H2,1-7H3,(H,22,25)/t17-,18-/m0/s1