3-(7-carbamimidoylnaphthalen-2-yl)-2-(1-ethanimidoylpyrrolidin-3-yl)-2-(6-oxidanylidenecyclohexa-1,3-dien-1-yl)propanoic acid

Systemtic Name: 3-(7-carbamimidoylnaphthalen-2-yl)-2-(1-ethanimidoylpyrrolidin-3-yl)-2-(6-oxidanylidenecyclohexa-1,3-dien-1-yl)propanoic acid Openeye Name: 3-(7-carbamimidoyl-2-naphthyl)-2-(1-ethanimidoylpyrrolidin-3-yl)-2-(6-oxocyclohexa-1,3-dien-1-yl)propanoic acid CAS Name: 3-(7-carbamimidoyl-2-naphthalenyl)-2-[1-(1-iminoethyl)-3-pyrrolidinyl]-2-(6-oxo-1-cyclohexa-1,3-dienyl)propanoic acid IUPAC Name: 3-(7-carbamimidoylnaphthalen-2-yl)-2-(1-ethanimidoylpyrrolidin-3-yl)-2-(6-oxocyclohexa-1,3-dien-1-yl)propanoic acid Traditional Name: 2-(1-acetimidoylpyrrolidin-3-yl)-3-(7-amidino-2-naphthyl)-2-(6-ketocyclohexa-1,3-dien-1-yl)propionic acid Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(C1)C(CC2=CC3=C(C=C2)C=CC(=C3)C(=N)N)(C4=CC=CCC4=O)C(=O)O

Isomeric SMILES

CC(=N)N1CCC(C1)C(CC2=CC3=C(C=C2)C=CC(=C3)C(=N)N)(C4=CC=CCC4=O)C(=O)O

InChI

InChI=1S/C26H28N4O3/c1-16(27)30-11-10-21(15-30)26(25(32)33,22-4-2-3-5-23(22)31)14-17-6-7-18-8-9-19(24(28)29)13-20(18)12-17/h2-4,6-9,12-13,21,27H,5,10-11,14-15H2,1H3,(H3,28,29)(H,32,33)