3-[[3-[(5-carbamimidoyl-1H-indol-2-yl)carbonylamino]phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[3-[(5-carbamimidoyl-1H-indol-2-yl)carbonylamino]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[3-[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[3-[[(5-carbamimidoyl-1H-indol-2-yl)-oxomethyl]amino]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[3-[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[3-[(5-amidino-1H-indole-2-carbonyl)amino]benzoyl]amino]-3-phenyl-propionic acid Formula: C26H23N5O4 MolecularWeight: 469.49192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(=N)N

InChI

InChI=1S/C26H23N5O4/c27-24(28)16-9-10-20-18(11-16)13-22(30-20)26(35)29-19-8-4-7-17(12-19)25(34)31-21(14-23(32)33)15-5-2-1-3-6-15/h1-13,21,30H,14H2,(H3,27,28)(H,29,35)(H,31,34)(H,32,33)