dimethyl (6S)-2-[(4-methylphenyl)sulfonyl-phenylmethoxycarbonyl-amino]-6-(phenylmethoxycarbonylamino)heptanedioate

Systemtic Name: dimethyl (6S)-2-[(4-methylphenyl)sulfonyl-phenylmethoxycarbonyl-amino]-6-(phenylmethoxycarbonylamino)heptanedioate Openeye Name: dimethyl (2S)-2-(benzyloxycarbonylamino)-6-[benzyloxycarbonyl(p-tolylsulfonyl)amino]heptanedioate CAS Name: (6S)-2-[(4-methylphenyl)sulfonyl-phenylmethoxycarbonylamino]-6-(phenylmethoxycarbonylamino)heptanedioic acid dimethyl ester IUPAC Name: dimethyl (6S)-2-[(4-methylphenyl)sulfonyl-phenylmethoxycarbonylamino]-6-(phenylmethoxycarbonylamino)heptanedioate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-6-[carbobenzoxy(tosyl)amino]pimelic acid dimethyl ester Formula: C32H36N2O10S MolecularWeight: 640.70064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(CCCC(C(=O)OC)NC(=O)OCC2=CC=CC=C2)C(=O)OC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(CCC[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2)C(=O)OC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C32H36N2O10S/c1-23-17-19-26(20-18-23)45(39,40)34(32(38)44-22-25-13-8-5-9-14-25)28(30(36)42-3)16-10-15-27(29(35)41-2)33-31(37)43-21-24-11-6-4-7-12-24/h4-9,11-14,17-20,27-28H,10,15-16,21-22H2,1-3H3,(H,33,37)/t27-,28?/m0/s1