2-[[3-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]-phenyl-amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]-phenyl-amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-(N-[3-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-(2-naphthylsulfonylamino)-3-oxo-propyl]anilino)-2-oxo-acetic acid CAS Name: 2-(N-[3-[(1-carbamimidoyl-3-piperidinyl)methylamino]-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]anilino)-2-oxoacetic acid IUPAC Name: 2-(N-[3-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]anilino)-2-oxoacetic acid Traditional Name: 2-(N-[3-[(1-amidino-3-piperidyl)methylamino]-3-keto-2-(2-naphthylsulfonylamino)propyl]anilino)-2-keto-acetic acid Formula: C28H32N6O6S MolecularWeight: 580.65528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)C(CN(C2=CC=CC=C2)C(=O)C(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CN(C2=CC=CC=C2)C(=O)C(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H32N6O6S/c29-28(30)33-14-6-7-19(17-33)16-31-25(35)24(18-34(26(36)27(37)38)22-10-2-1-3-11-22)32-41(39,40)23-13-12-20-8-4-5-9-21(20)15-23/h1-5,8-13,15,19,24,32H,6-7,14,16-18H2,(H3,29,30)(H,31,35)(H,37,38)