methyl (2S)-5-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: methyl (2S)-5-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-4-oxo-5-[1-(p-tolylsulfonyl)indol-3-yl]pentanoate CAS Name: (2S)-5-[1-(4-methylphenyl)sulfonyl-3-indolyl]-4-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl (2S)-5-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-oxo-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-keto-5-(1-tosylindol-3-yl)valeric acid methyl ester Formula: C29H28N2O7S MolecularWeight: 548.60682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O7S/c1-20-12-14-24(15-13-20)39(35,36)31-18-22(25-10-6-7-11-27(25)31)16-23(32)17-26(28(33)37-2)30-29(34)38-19-21-8-4-3-5-9-21/h3-15,18,26H,16-17,19H2,1-2H3,(H,30,34)/t26-/m0/s1