2-[[3-[3-(4-carbamimidoylphenyl)propanoyl]-1-methyl-indol-5-yl]-pyridin-2-ylcarbonyl-amino]ethanoic acid

Systemtic Name: 2-[[3-[3-(4-carbamimidoylphenyl)propanoyl]-1-methyl-indol-5-yl]-pyridin-2-ylcarbonyl-amino]ethanoic acid Openeye Name: 2-[[3-[3-(4-carbamimidoylphenyl)propanoyl]-1-methyl-indol-5-yl]-(pyridine-2-carbonyl)amino]acetic acid CAS Name: 2-[[3-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-1-methyl-5-indolyl]-[oxo(2-pyridinyl)methyl]amino]acetic acid IUPAC Name: 2-[[3-[3-(4-carbamimidoylphenyl)propanoyl]-1-methylindol-5-yl]-(pyridine-2-carbonyl)amino]acetic acid Traditional Name: 2-[[3-[3-(4-amidinophenyl)propanoyl]-1-methyl-indol-5-yl]-picolinoyl-amino]acetic acid Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)N(CC(=O)O)C(=O)C3=CC=CC=N3)C(=O)CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)N(CC(=O)O)C(=O)C3=CC=CC=N3)C(=O)CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H25N5O4/c1-31-15-21(24(33)12-7-17-5-8-18(9-6-17)26(28)29)20-14-19(10-11-23(20)31)32(16-25(34)35)27(36)22-4-2-3-13-30-22/h2-6,8-11,13-15H,7,12,16H2,1H3,(H3,28,29)(H,34,35)