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

Systemtic Name: 6-azanyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-(phenylcarbamoyl)amino]hexanoic acid Openeye Name: 6-amino-2-[phenylcarbamoyl-[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]hexanoic acid CAS Name: 6-amino-2-[[anilino(oxo)methyl]-[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]-(phenylcarbamoyl)amino]hexanoic acid Traditional Name: 6-amino-2-[phenylcarbamoyl-(1-tosylprolyl)amino]hexanoic acid Formula: C25H32N4O6S MolecularWeight: 516.60978

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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)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C(CCCCN)C(=O)O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H32N4O6S/c1-18-12-14-20(15-13-18)36(34,35)28-17-7-11-21(28)23(30)29(22(24(31)32)10-5-6-16-26)25(33)27-19-8-3-2-4-9-19/h2-4,8-9,12-15,21-22H,5-7,10-11,16-17,26H2,1H3,(H,27,33)(H,31,32)