ethyl 2-[[7-(4-methylphenyl)sulfonyl-2-(phenylmethoxycarbonylamino)heptanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[7-(4-methylphenyl)sulfonyl-2-(phenylmethoxycarbonylamino)heptanoyl]amino]ethanoate Openeye Name: ethyl 2-[[2-(benzyloxycarbonylamino)-7-(p-tolylsulfonyl)heptanoyl]amino]acetate CAS Name: 2-[[7-(4-methylphenyl)sulfonyl-1-oxo-2-(phenylmethoxycarbonylamino)heptyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[7-(4-methylphenyl)sulfonyl-2-(phenylmethoxycarbonylamino)heptanoyl]amino]acetate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-7-tosyl-heptanoyl]amino]acetic acid ethyl ester Formula: C26H34N2O7S MolecularWeight: 518.62236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(CCCCCS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CNC(=O)C(CCCCCS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H34N2O7S/c1-3-34-24(29)18-27-25(30)23(28-26(31)35-19-21-10-6-4-7-11-21)12-8-5-9-17-36(32,33)22-15-13-20(2)14-16-22/h4,6-7,10-11,13-16,23H,3,5,8-9,12,17-19H2,1-2H3,(H,27,30)(H,28,31)