(phenylmethyl) (2S)-5-[(4-methylphenyl)sulfonylamino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (phenylmethyl) (2S)-5-[(4-methylphenyl)sulfonylamino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-5-oxo-5-(p-tolylsulfonylamino)pentanoate CAS Name: (2S)-5-[(4-methylphenyl)sulfonylamino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-5-[(4-methylphenyl)sulfonylamino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-keto-5-(tosylamino)valeric acid benzyl ester Formula: C27H28N2O7S MolecularWeight: 524.58542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CCC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O7S/c1-20-12-14-23(15-13-20)37(33,34)29-25(30)17-16-24(26(31)35-18-21-8-4-2-5-9-21)28-27(32)36-19-22-10-6-3-7-11-22/h2-15,24H,16-19H2,1H3,(H,28,32)(H,29,30)/t24-/m0/s1