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

Systemtic Name: 3-[2-[(5-carbamimidoyl-1H-indol-2-yl)carbonyl-methyl-amino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[2-[(5-carbamimidoyl-1H-indole-2-carbonyl)-methyl-amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[2-[[(5-carbamimidoyl-1H-indol-2-yl)-oxomethyl]-methylamino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[2-[(5-carbamimidoyl-1H-indole-2-carbonyl)-methylamino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[2-[(5-amidino-1H-indole-2-carbonyl)-methyl-amino]acetyl]amino]-3-phenyl-propionic acid Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4/c1-27(12-19(28)26-17(11-20(29)30)13-5-3-2-4-6-13)22(31)18-10-15-9-14(21(23)24)7-8-16(15)25-18/h2-10,17,25H,11-12H2,1H3,(H3,23,24)(H,26,28)(H,29,30)