3-[5-(4-carbamimidoylphenyl)pentanoylamino]-2-(naphthalen-1-ylsulfonylamino)propanoic acid

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-2-(naphthalen-1-ylsulfonylamino)propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-2-(1-naphthylsulfonylamino)propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-2-(1-naphthalenylsulfonylamino)propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-2-(naphthalen-1-ylsulfonylamino)propanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-2-(1-naphthylsulfonylamino)propionic acid Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC(CNC(=O)CCCCC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC(CNC(=O)CCCCC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C25H28N4O5S/c26-24(27)19-14-12-17(13-15-19)6-1-4-11-23(30)28-16-21(25(31)32)29-35(33,34)22-10-5-8-18-7-2-3-9-20(18)22/h2-3,5,7-10,12-15,21,29H,1,4,6,11,16H2,(H3,26,27)(H,28,30)(H,31,32)