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

Systemtic Name: 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-cyclopentyl-amino]ethanoic acid Openeye Name: 2-[[4-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]-cyclopentyl-amino]acetic acid CAS Name: 2-[[4-[(1-carbamimidoyl-3-piperidinyl)methylamino]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]-cyclopentylamino]acetic acid IUPAC Name: 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]-cyclopentylamino]acetic acid Traditional Name: 2-[[4-[(1-amidino-3-piperidyl)methylamino]-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-cyclopentyl-amino]acetic acid Formula: C28H38N6O6S MolecularWeight: 586.70292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC(=O)O)C(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC(C1)N(CC(=O)O)C(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H38N6O6S/c29-28(30)33-13-5-6-19(17-33)16-31-25(35)15-24(27(38)34(18-26(36)37)22-9-3-4-10-22)32-41(39,40)23-12-11-20-7-1-2-8-21(20)14-23/h1-2,7-8,11-12,14,19,22,24,32H,3-6,9-10,13,15-18H2,(H3,29,30)(H,31,35)(H,36,37)