1-[4-[(1-carbamimidoylpiperidin-3-yl)-methyl-amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[(1-carbamimidoylpiperidin-3-yl)-methyl-amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[(1-carbamimidoyl-3-piperidyl)-methyl-amino]-3-(2-naphthylsulfonylamino)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[(1-carbamimidoyl-3-piperidinyl)-methylamino]-3-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[(1-carbamimidoylpiperidin-3-yl)-methylamino]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[(1-amidino-3-piperidyl)-methyl-amino]-4-keto-3-(2-naphthylsulfonylamino)butanoyl]proline Formula: C26H34N6O6S MolecularWeight: 558.64976

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCN(C1)C(=N)N)C(=O)C(CC(=O)N2CCCC2C(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN(C1CCCN(C1)C(=N)N)C(=O)C(CC(=O)N2CCCC2C(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H34N6O6S/c1-30(19-8-4-12-31(16-19)26(27)28)24(34)21(15-23(33)32-13-5-9-22(32)25(35)36)29-39(37,38)20-11-10-17-6-2-3-7-18(17)14-20/h2-3,6-7,10-11,14,19,21-22,29H,4-5,8-9,12-13,15-16H2,1H3,(H3,27,28)(H,35,36)