3-[[4-[(2-carbamimidoylpiperidin-3-yl)methyl-methyl-amino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-cyclopropyl-amino]propanoic acid

Systemtic Name: 3-[[4-[(2-carbamimidoylpiperidin-3-yl)methyl-methyl-amino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-cyclopropyl-amino]propanoic acid Openeye Name: 3-[[4-[(2-carbamimidoyl-3-piperidyl)methyl-methyl-amino]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]-cyclopropyl-amino]propanoic acid CAS Name: 3-[[4-[(2-carbamimidoyl-3-piperidinyl)methyl-methylamino]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]-cyclopropylamino]propanoic acid IUPAC Name: 3-[[4-[(2-carbamimidoylpiperidin-3-yl)methyl-methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]-cyclopropylamino]propanoic acid Traditional Name: 3-[[4-[(2-amidino-3-piperidyl)methyl-methyl-amino]-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-cyclopropyl-amino]propionic acid Formula: C28H38N6O6S MolecularWeight: 586.70292

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCCNC1C(=N)N)C(=O)CC(C(=O)N(CCC(=O)O)C2CC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN(CC1CCCNC1C(=N)N)C(=O)CC(C(=O)N(CCC(=O)O)C2CC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H38N6O6S/c1-33(17-20-7-4-13-31-26(20)27(29)30)24(35)16-23(28(38)34(21-9-10-21)14-12-25(36)37)32-41(39,40)22-11-8-18-5-2-3-6-19(18)15-22/h2-3,5-6,8,11,15,20-21,23,26,31-32H,4,7,9-10,12-14,16-17H2,1H3,(H3,29,30)(H,36,37)