2-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-3-methanoyl-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-3-methanoyl-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-3-formyl-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[4-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-3-formyl-2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-3-formyl-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[4-[6-(4-amidinophenyl)pyridazin-3-yl]-3-formyl-2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)N1CCCC2=CC=CC=C2)(CC(=O)O)C=O)C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1C(C(C(=O)N1CCCC2=CC=CC=C2)(CC(=O)O)C=O)C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H27N5O4/c28-25(29)20-10-8-19(9-11-20)22-12-13-23(31-30-22)21-16-32(14-4-7-18-5-2-1-3-6-18)26(36)27(21,17-33)15-24(34)35/h1-3,5-6,8-13,17,21H,4,7,14-16H2,(H3,28,29)(H,34,35)