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

Systemtic Name: 2-[[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(naphthalen-2-ylsulfonylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]piperidine-1-carboxylic acid Openeye Name: 2-[[2-[(1-carbamimidoyl-3-piperidyl)methylamino]-1-[(2-naphthylsulfonylamino)methyl]-2-oxo-ethyl]carbamoyl]piperidine-1-carboxylic acid CAS Name: 2-[[[1-[(1-carbamimidoyl-3-piperidinyl)methylamino]-3-(2-naphthalenylsulfonylamino)-1-oxopropan-2-yl]amino]-oxomethyl]-1-piperidinecarboxylic acid IUPAC Name: 2-[[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(naphthalen-2-ylsulfonylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylic acid Traditional Name: 2-[[2-[(1-amidino-3-piperidyl)methylamino]-2-keto-1-[(2-naphthylsulfonylamino)methyl]ethyl]carbamoyl]piperidine-1-carboxylic acid Formula: C27H37N7O6S MolecularWeight: 587.69098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NCC4CCCN(C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CCN(C(C1)C(=O)NC(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NCC4CCCN(C4)C(=N)N)C(=O)O

InChI

InChI=1S/C27H37N7O6S/c28-26(29)33-12-5-6-18(17-33)15-30-24(35)22(32-25(36)23-9-3-4-13-34(23)27(37)38)16-31-41(39,40)21-11-10-19-7-1-2-8-20(19)14-21/h1-2,7-8,10-11,14,18,22-23,31H,3-6,9,12-13,15-17H2,(H3,28,29)(H,30,35)(H,32,36)(H,37,38)