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

Systemtic Name: 6-azanyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-piperidin-4-ylcarbonyl-amino]hexanoic acid Openeye Name: 6-amino-2-[piperidine-4-carbonyl-[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]hexanoic acid CAS Name: 6-amino-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-[oxo(4-piperidinyl)methyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]-(piperidine-4-carbonyl)amino]hexanoic acid Traditional Name: 6-amino-2-[isonipecotoyl-(1-tosylprolyl)amino]hexanoic acid Formula: C24H36N4O6S MolecularWeight: 508.63084

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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)C3CCNCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C(CCCCN)C(=O)O)C(=O)C3CCNCC3

InChI

InChI=1S/C24H36N4O6S/c1-17-7-9-19(10-8-17)35(33,34)27-16-4-6-20(27)23(30)28(21(24(31)32)5-2-3-13-25)22(29)18-11-14-26-15-12-18/h7-10,18,20-21,26H,2-6,11-16,25H2,1H3,(H,31,32)