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

Systemtic Name: 3-[2-[(5-carbamimidoyl-1H-indol-2-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[2-[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[2-[[(5-carbamimidoyl-1H-indol-2-yl)-oxomethyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[2-[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[2-[(5-amidino-1H-indole-2-carbonyl)amino]acetyl]amino]-3-phenyl-propionic acid Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CNC(=O)C2=CC3=C(N2)C=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CNC(=O)C2=CC3=C(N2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C21H21N5O4/c22-20(23)13-6-7-15-14(8-13)9-17(25-15)21(30)24-11-18(27)26-16(10-19(28)29)12-4-2-1-3-5-12/h1-9,16,25H,10-11H2,(H3,22,23)(H,24,30)(H,26,27)(H,28,29)