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

Systemtic Name: 6-azanyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-(1-phenylmethoxycarbonylpiperidin-4-yl)carbonyl-amino]hexanoic acid Openeye Name: 6-amino-2-[(1-benzyloxycarbonylpiperidine-4-carbonyl)-[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]hexanoic acid CAS Name: 6-amino-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-[oxo-(1-phenylmethoxycarbonyl-4-piperidinyl)methyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)amino]hexanoic acid Traditional Name: 6-amino-2-[(1-carbobenzoxyisonipecotoyl)-(1-tosylprolyl)amino]hexanoic acid Formula: C32H42N4O8S MolecularWeight: 642.76288

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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)C3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C(CCCCN)C(=O)O)C(=O)C3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C32H42N4O8S/c1-23-12-14-26(15-13-23)45(42,43)35-19-7-11-27(35)30(38)36(28(31(39)40)10-5-6-18-33)29(37)25-16-20-34(21-17-25)32(41)44-22-24-8-3-2-4-9-24/h2-4,8-9,12-15,25,27-28H,5-7,10-11,16-22,33H2,1H3,(H,39,40)