5-[(1-carbamimidoylpiperidin-3-yl)-methyl-carbamoyl]-4-(naphthalen-2-ylsulfonylamino)-2-(propanoylamino)heptanoic acid

Systemtic Name: 5-[(1-carbamimidoylpiperidin-3-yl)-methyl-carbamoyl]-4-(naphthalen-2-ylsulfonylamino)-2-(propanoylamino)heptanoic acid Openeye Name: 5-[(1-carbamimidoyl-3-piperidyl)-methyl-carbamoyl]-4-(2-naphthylsulfonylamino)-2-(propanoylamino)heptanoic acid CAS Name: 5-[[(1-carbamimidoyl-3-piperidinyl)-methylamino]-oxomethyl]-4-(2-naphthalenylsulfonylamino)-2-(1-oxopropylamino)heptanoic acid IUPAC Name: 5-[(1-carbamimidoylpiperidin-3-yl)-methylcarbamoyl]-4-(naphthalen-2-ylsulfonylamino)-2-(propanoylamino)heptanoic acid Traditional Name: 5-[(1-amidino-3-piperidyl)-methyl-carbamoyl]-4-(2-naphthylsulfonylamino)-2-propionamido-enanthic acid Formula: C28H40N6O6S MolecularWeight: 588.7188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(C(=O)O)NC(=O)CC)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)N(C)C3CCCN(C3)C(=N)N

Isomeric SMILES

CCC(C(CC(C(=O)O)NC(=O)CC)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)N(C)C3CCCN(C3)C(=N)N

InChI

InChI=1S/C28H40N6O6S/c1-4-22(26(36)33(3)20-11-8-14-34(17-20)28(29)30)23(16-24(27(37)38)31-25(35)5-2)32-41(39,40)21-13-12-18-9-6-7-10-19(18)15-21/h6-7,9-10,12-13,15,20,22-24,32H,4-5,8,11,14,16-17H2,1-3H3,(H3,29,30)(H,31,35)(H,37,38)