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

Systemtic Name: 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[4-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[4-[(1-carbamimidoyl-3-piperidinyl)methylamino]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[4-[(1-amidino-3-piperidyl)methylamino]-4-keto-2-(2-naphthylsulfonylamino)butanoyl]amino]-3-methyl-butyric acid Formula: C26H36N6O6S MolecularWeight: 560.66564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CC(=O)NCC1CCCN(C1)C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CC(=O)NCC1CCCN(C1)C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C26H36N6O6S/c1-16(2)23(25(35)36)30-24(34)21(13-22(33)29-14-17-6-5-11-32(15-17)26(27)28)31-39(37,38)20-10-9-18-7-3-4-8-19(18)12-20/h3-4,7-10,12,16-17,21,23,31H,5-6,11,13-15H2,1-2H3,(H3,27,28)(H,29,33)(H,30,34)(H,35,36)