2-[[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(naphthalen-2-ylsulfonylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(naphthalen-2-ylsulfonylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-[(1-carbamimidoyl-3-piperidyl)methylamino]-1-[(2-naphthylsulfonylamino)methyl]-2-oxo-ethyl]carbamoyl]benzoic acid CAS Name: 2-[[[1-[(1-carbamimidoyl-3-piperidinyl)methylamino]-3-(2-naphthalenylsulfonylamino)-1-oxopropan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(naphthalen-2-ylsulfonylamino)-1-oxopropan-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-[(1-amidino-3-piperidyl)methylamino]-2-keto-1-[(2-naphthylsulfonylamino)methyl]ethyl]carbamoyl]benzoic acid Formula: C28H32N6O6S MolecularWeight: 580.65528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C28H32N6O6S/c29-28(30)34-13-5-6-18(17-34)15-31-26(36)24(33-25(35)22-9-3-4-10-23(22)27(37)38)16-32-41(39,40)21-12-11-19-7-1-2-8-20(19)14-21/h1-4,7-12,14,18,24,32H,5-6,13,15-17H2,(H3,29,30)(H,31,36)(H,33,35)(H,37,38)