ethyl 2-[[6-[(4-methylphenyl)sulfonylamino]-2-(phenylmethoxycarbonylamino)hexanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[6-[(4-methylphenyl)sulfonylamino]-2-(phenylmethoxycarbonylamino)hexanoyl]amino]ethanoate Openeye Name: ethyl 2-[[2-(benzyloxycarbonylamino)-6-(p-tolylsulfonylamino)hexanoyl]amino]acetate CAS Name: 2-[[6-[(4-methylphenyl)sulfonylamino]-1-oxo-2-(phenylmethoxycarbonylamino)hexyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-[(4-methylphenyl)sulfonylamino]-2-(phenylmethoxycarbonylamino)hexanoyl]amino]acetate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-6-(tosylamino)hexanoyl]amino]acetic acid ethyl ester Formula: C25H33N3O7S MolecularWeight: 519.61042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O7S/c1-3-34-23(29)17-26-24(30)22(28-25(31)35-18-20-9-5-4-6-10-20)11-7-8-16-27-36(32,33)21-14-12-19(2)13-15-21/h4-6,9-10,12-15,22,27H,3,7-8,11,16-18H2,1-2H3,(H,26,30)(H,28,31)