3-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(1-ethanimidoylpiperidin-4-yl)-2-(6-oxidanylidenecyclohexa-1,3-dien-1-yl)propanoic acid

Systemtic Name: 3-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(1-ethanimidoylpiperidin-4-yl)-2-(6-oxidanylidenecyclohexa-1,3-dien-1-yl)propanoic acid Openeye Name: 3-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(1-ethanimidoyl-4-piperidyl)-2-(6-oxocyclohexa-1,3-dien-1-yl)propanoic acid CAS Name: 3-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-[1-(1-iminoethyl)-4-piperidinyl]-2-(6-oxo-1-cyclohexa-1,3-dienyl)propanoic acid IUPAC Name: 3-(6-carbamimidoyl-1-ethylindol-2-yl)-2-(1-ethanimidoylpiperidin-4-yl)-2-(6-oxocyclohexa-1,3-dien-1-yl)propanoic acid Traditional Name: 2-(1-acetimidoyl-4-piperidyl)-3-(6-amidino-1-ethyl-indol-2-yl)-2-(6-ketocyclohexa-1,3-dien-1-yl)propionic acid Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CC(C3CCN(CC3)C(=N)C)(C4=CC=CCC4=O)C(=O)O

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CC(C3CCN(CC3)C(=N)C)(C4=CC=CCC4=O)C(=O)O

InChI

InChI=1S/C27H33N5O3/c1-3-32-21(14-18-8-9-19(25(29)30)15-23(18)32)16-27(26(34)35,22-6-4-5-7-24(22)33)20-10-12-31(13-11-20)17(2)28/h4-6,8-9,14-15,20,28H,3,7,10-13,16H2,1-2H3,(H3,29,30)(H,34,35)