2-(butylsulfonylamino)-3-[3-[(6-carbamimidoyl-1H-indazol-3-yl)carbonylamino]propanoylamino]propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-3-[3-[(6-carbamimidoyl-1H-indazol-3-yl)carbonylamino]propanoylamino]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[3-[(6-carbamimidoyl-1H-indazole-3-carbonyl)amino]propanoylamino]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[[3-[[(6-carbamimidoyl-1H-indazol-3-yl)-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[3-[(6-carbamimidoyl-1H-indazole-3-carbonyl)amino]propanoylamino]propanoic acid Traditional Name: 3-[3-[(6-amidino-1H-indazole-3-carbonyl)amino]propanoylamino]-2-(butylsulfonylamino)propionic acid Formula: C19H27N7O6S MolecularWeight: 481.52598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CNC(=O)CCNC(=O)C1=NNC2=C1C=CC(=C2)C(=N)N)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CNC(=O)CCNC(=O)C1=NNC2=C1C=CC(=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C19H27N7O6S/c1-2-3-8-33(31,32)26-14(19(29)30)10-23-15(27)6-7-22-18(28)16-12-5-4-11(17(20)21)9-13(12)24-25-16/h4-5,9,14,26H,2-3,6-8,10H2,1H3,(H3,20,21)(H,22,28)(H,23,27)(H,24,25)(H,29,30)