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

Systemtic Name: 3-[3-[(6-carbamimidoyl-1H-indazol-3-yl)carbonylamino]propanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[3-[(6-carbamimidoyl-1H-indazole-3-carbonyl)amino]propanoylamino]-3-phenyl-propanoic acid CAS Name: 3-[[3-[[(6-carbamimidoyl-1H-indazol-3-yl)-oxomethyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[3-[(6-carbamimidoyl-1H-indazole-3-carbonyl)amino]propanoylamino]-3-phenylpropanoic acid Traditional Name: 3-[3-[(6-amidino-1H-indazole-3-carbonyl)amino]propanoylamino]-3-phenyl-propionic acid Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCNC(=O)C2=NNC3=C2C=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCNC(=O)C2=NNC3=C2C=CC(=C3)C(=N)N

InChI

InChI=1S/C21H22N6O4/c22-20(23)13-6-7-14-16(10-13)26-27-19(14)21(31)24-9-8-17(28)25-15(11-18(29)30)12-4-2-1-3-5-12/h1-7,10,15H,8-9,11H2,(H3,22,23)(H,24,31)(H,25,28)(H,26,27)(H,29,30)