(2S)-2-[(4-methylphenyl)sulfonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: (2S)-6-(benzyloxycarbonylamino)-2-(p-tolylsulfonylamino)hexanoic acid CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: (2S)-6-(benzyloxycarbonylamino)-2-(tosylamino)hexanoic acid Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCCNC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H26N2O6S/c1-16-10-12-18(13-11-16)30(27,28)23-19(20(24)25)9-5-6-14-22-21(26)29-15-17-7-3-2-4-8-17/h2-4,7-8,10-13,19,23H,5-6,9,14-15H2,1H3,(H,22,26)(H,24,25)/t19-/m0/s1