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

Systemtic Name: 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[[4-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[4-[(1-carbamimidoyl-3-piperidinyl)methylamino]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]amino]-2-phenylacetic acid Traditional Name: 2-[[4-[(1-amidino-3-piperidyl)methylamino]-4-keto-2-(2-naphthylsulfonylamino)butanoyl]amino]-2-phenyl-acetic acid Formula: C29H34N6O6S MolecularWeight: 594.68186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N6O6S/c30-29(31)35-14-6-7-19(18-35)17-32-25(36)16-24(27(37)33-26(28(38)39)21-9-2-1-3-10-21)34-42(40,41)23-13-12-20-8-4-5-11-22(20)15-23/h1-5,8-13,15,19,24,26,34H,6-7,14,16-18H2,(H3,30,31)(H,32,36)(H,33,37)(H,38,39)