3-[[3-[(4-carbamimidoylphenyl)carbonylamino]propanoylamino]-naphthalen-1-ylsulfonyl-amino]propanoic acid

Systemtic Name: 3-[[3-[(4-carbamimidoylphenyl)carbonylamino]propanoylamino]-naphthalen-1-ylsulfonyl-amino]propanoic acid Openeye Name: 3-[[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-(1-naphthylsulfonyl)amino]propanoic acid CAS Name: 3-[[[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-(1-naphthalenylsulfonyl)amino]propanoic acid IUPAC Name: 3-[[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-naphthalen-1-ylsulfonylamino]propanoic acid Traditional Name: 3-[[3-[(4-amidinobenzoyl)amino]propanoylamino]-(1-naphthylsulfonyl)amino]propionic acid Formula: C24H25N5O6S MolecularWeight: 511.5502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)N(CCC(=O)O)NC(=O)CCNC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)N(CCC(=O)O)NC(=O)CCNC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H25N5O6S/c25-23(26)17-8-10-18(11-9-17)24(33)27-14-12-21(30)28-29(15-13-22(31)32)36(34,35)20-7-3-5-16-4-1-2-6-19(16)20/h1-11H,12-15H2,(H3,25,26)(H,27,33)(H,28,30)(H,31,32)