6-azanyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-phenylmethoxycarbonyl-amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-phenylmethoxycarbonyl-amino]hexanoic acid Openeye Name: 6-amino-2-[benzyloxycarbonyl-[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]hexanoic acid CAS Name: 6-amino-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-phenylmethoxycarbonylamino]hexanoic acid IUPAC Name: 6-amino-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]-phenylmethoxycarbonylamino]hexanoic acid Traditional Name: 6-amino-2-[carbobenzoxy-(1-tosylprolyl)amino]hexanoic acid Formula: C26H33N3O7S MolecularWeight: 531.62112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C(CCCCN)C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C(CCCCN)C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O7S/c1-19-12-14-21(15-13-19)37(34,35)28-17-7-11-22(28)24(30)29(23(25(31)32)10-5-6-16-27)26(33)36-18-20-8-3-2-4-9-20/h2-4,8-9,12-15,22-23H,5-7,10-11,16-18,27H2,1H3,(H,31,32)