2-[[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-indol-2-yl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-indol-2-yl]carbonylamino]butanedioic acid Openeye Name: 2-[[1-[(7-carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]indole-2-carbonyl]amino]butanedioic acid CAS Name: 2-[[[1-[(7-carbamimidoyl-2-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-indolyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxyindole-2-carbonyl]amino]butanedioic acid Traditional Name: 2-[[6-[(1-acetimidoyl-4-piperidyl)oxy]-1-[(7-amidino-2-naphthyl)methyl]indole-2-carbonyl]amino]succinic acid Formula: C32H34N6O6 MolecularWeight: 598.64896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C=C(N3CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C=C(N3CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N)C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C32H34N6O6/c1-18(33)37-10-8-24(9-11-37)44-25-7-6-21-14-28(31(41)36-26(32(42)43)16-29(39)40)38(27(21)15-25)17-19-2-3-20-4-5-22(30(34)35)13-23(20)12-19/h2-7,12-15,24,26,33H,8-11,16-17H2,1H3,(H3,34,35)(H,36,41)(H,39,40)(H,42,43)