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

Systemtic Name: 2-(butylsulfonylamino)-3-[3-[(6-carbamimidoyl-1H-indol-3-yl)carbonylamino]propanoylamino]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[3-[(6-carbamimidoyl-1H-indole-3-carbonyl)amino]propanoylamino]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[[3-[[(6-carbamimidoyl-1H-indol-3-yl)-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[3-[(6-carbamimidoyl-1H-indole-3-carbonyl)amino]propanoylamino]propanoic acid Traditional Name: 3-[3-[(6-amidino-1H-indole-3-carbonyl)amino]propanoylamino]-2-(butylsulfonylamino)propionic acid Formula: C20H28N6O6S MolecularWeight: 480.53792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CNC(=O)CCNC(=O)C1=CNC2=C1C=CC(=C2)C(=N)N)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CNC(=O)CCNC(=O)C1=CNC2=C1C=CC(=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C20H28N6O6S/c1-2-3-8-33(31,32)26-16(20(29)30)11-25-17(27)6-7-23-19(28)14-10-24-15-9-12(18(21)22)4-5-13(14)15/h4-5,9-10,16,24,26H,2-3,6-8,11H2,1H3,(H3,21,22)(H,23,28)(H,25,27)(H,29,30)