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

Systemtic Name: 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[4-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]-methyl-amino]acetic acid CAS Name: 2-[[4-[(1-carbamimidoyl-3-piperidinyl)methylamino]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]-methylamino]acetic acid IUPAC Name: 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]-methylamino]acetic acid Traditional Name: 2-[[4-[(1-amidino-3-piperidyl)methylamino]-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-methyl-amino]acetic acid Formula: C24H32N6O6S MolecularWeight: 532.61248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N6O6S/c1-29(15-22(32)33)23(34)20(12-21(31)27-13-16-5-4-10-30(14-16)24(25)26)28-37(35,36)19-9-8-17-6-2-3-7-18(17)11-19/h2-3,6-9,11,16,20,28H,4-5,10,12-15H2,1H3,(H3,25,26)(H,27,31)(H,32,33)