3-[4-(4-carbamimidoylphenoxy)butanoylamino]-2-(naphthalen-1-ylsulfonylamino)propanoic acid

Systemtic Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-2-(naphthalen-1-ylsulfonylamino)propanoic acid Openeye Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-2-(1-naphthylsulfonylamino)propanoic acid CAS Name: 3-[[4-(4-carbamimidoylphenoxy)-1-oxobutyl]amino]-2-(1-naphthalenylsulfonylamino)propanoic acid IUPAC Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-2-(naphthalen-1-ylsulfonylamino)propanoic acid Traditional Name: 3-[4-(4-amidinophenoxy)butanoylamino]-2-(1-naphthylsulfonylamino)propionic acid Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC(CNC(=O)CCCOC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC(CNC(=O)CCCOC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C24H26N4O6S/c25-23(26)17-10-12-18(13-11-17)34-14-4-9-22(29)27-15-20(24(30)31)28-35(32,33)21-8-3-6-16-5-1-2-7-19(16)21/h1-3,5-8,10-13,20,28H,4,9,14-15H2,(H3,25,26)(H,27,29)(H,30,31)