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

Systemtic Name: 3-[3-[(5-carbamimidoyl-1H-indol-2-yl)carbonyl-methyl-amino]propanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[3-[(5-carbamimidoyl-1H-indole-2-carbonyl)-methyl-amino]propanoylamino]-3-phenyl-propanoic acid CAS Name: 3-[[3-[[(5-carbamimidoyl-1H-indol-2-yl)-oxomethyl]-methylamino]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[3-[(5-carbamimidoyl-1H-indole-2-carbonyl)-methylamino]propanoylamino]-3-phenylpropanoic acid Traditional Name: 3-[3-[(5-amidino-1H-indole-2-carbonyl)-methyl-amino]propanoylamino]-3-phenyl-propionic acid Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4/c1-28(23(32)19-12-16-11-15(22(24)25)7-8-17(16)26-19)10-9-20(29)27-18(13-21(30)31)14-5-3-2-4-6-14/h2-8,11-12,18,26H,9-10,13H2,1H3,(H3,24,25)(H,27,29)(H,30,31)