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

Systemtic Name: 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[4-[(1-carbamimidoyl-3-piperidinyl)methylamino]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-[(1-amidino-3-piperidyl)methylamino]-4-keto-2-(2-naphthylsulfonylamino)butanoyl]amino]-3-phenyl-propionic acid Formula: C30H36N6O6S MolecularWeight: 608.70844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)CC(C(=O)NC(CC2=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(CC2=CC=CC=C2)C(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C30H36N6O6S/c31-30(32)36-14-6-9-21(19-36)18-33-27(37)17-25(28(38)34-26(29(39)40)15-20-7-2-1-3-8-20)35-43(41,42)24-13-12-22-10-4-5-11-23(22)16-24/h1-5,7-8,10-13,16,21,25-26,35H,6,9,14-15,17-19H2,(H3,31,32)(H,33,37)(H,34,38)(H,39,40)