O1-tert-butyl O6-methyl (5S)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-3-oxidanylidene-5-(phenylmethoxycarbonylamino)hexanedioate

Systemtic Name: O1-tert-butyl O6-methyl (5S)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-3-oxidanylidene-5-(phenylmethoxycarbonylamino)hexanedioate Openeye Name: O1-tert-butyl O6-methyl (5S)-5-(benzyloxycarbonylamino)-3-oxo-2-[1-(p-tolylsulfonyl)indol-3-yl]hexanedioate CAS Name: (5S)-2-[1-(4-methylphenyl)sulfonyl-3-indolyl]-3-oxo-5-(phenylmethoxycarbonylamino)hexanedioic acid O1-tert-butyl ester O6-methyl ester IUPAC Name: 1-O-tert-butyl 6-O-methyl (5S)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-3-oxo-5-(phenylmethoxycarbonylamino)hexanedioate Traditional Name: (5S)-5-(benzyloxycarbonylamino)-3-keto-2-(1-tosylindol-3-yl)adipic acid O1-tert-butyl ester O6-methyl ester Formula: C34H36N2O9S MolecularWeight: 648.72264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(C(=O)CC(C(=O)OC)NC(=O)OCC4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(C(=O)C[C@@H](C(=O)OC)NC(=O)OCC4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C34H36N2O9S/c1-22-15-17-24(18-16-22)46(41,42)36-20-26(25-13-9-10-14-28(25)36)30(32(39)45-34(2,3)4)29(37)19-27(31(38)43-5)35-33(40)44-21-23-11-7-6-8-12-23/h6-18,20,27,30H,19,21H2,1-5H3,(H,35,40)/t27-,30?/m0/s1