3-[[1-[(5-carbamimidoyl-1H-indol-2-yl)carbonyl]piperidin-4-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[1-[(5-carbamimidoyl-1H-indol-2-yl)carbonyl]piperidin-4-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[1-(5-carbamimidoyl-1H-indole-2-carbonyl)piperidine-4-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[1-[(5-carbamimidoyl-1H-indol-2-yl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[1-(5-carbamimidoyl-1H-indole-2-carbonyl)piperidine-4-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[1-(5-amidino-1H-indole-2-carbonyl)isonipecotoyl]amino]-3-phenyl-propionic acid Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC(=O)O)C2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)NC(CC(=O)O)C2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC(=C4)C(=N)N

InChI

InChI=1S/C25H27N5O4/c26-23(27)17-6-7-19-18(12-17)13-21(28-19)25(34)30-10-8-16(9-11-30)24(33)29-20(14-22(31)32)15-4-2-1-3-5-15/h1-7,12-13,16,20,28H,8-11,14H2,(H3,26,27)(H,29,33)(H,31,32)