3-[3-(4-carbamimidoylphenyl)-4-oxidanylidene-3,8-diazaspiro[4.5]decan-8-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[3-(4-carbamimidoylphenyl)-4-oxidanylidene-3,8-diazaspiro[4.5]decan-8-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-(4-carbamimidoylphenyl)-4-oxo-3,8-diazaspiro[4.5]decan-8-yl]-3-oxo-propanoic acid CAS Name: 3-[3-(4-carbamimidoylphenyl)-4-oxo-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropanoic acid IUPAC Name: 3-[3-(4-carbamimidoylphenyl)-4-oxo-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropanoic acid Traditional Name: 3-[3-(4-amidinophenyl)-4-keto-3,8-diazaspiro[4.5]decan-8-yl]-3-keto-propionic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CCN(C2=O)C3=CC=C(C=C3)C(=N)N)C(=O)CC(=O)O

Isomeric SMILES

C1CN(CCC12CCN(C2=O)C3=CC=C(C=C3)C(=N)N)C(=O)CC(=O)O

InChI

InChI=1S/C18H22N4O4/c19-16(20)12-1-3-13(4-2-12)22-10-7-18(17(22)26)5-8-21(9-6-18)14(23)11-15(24)25/h1-4H,5-11H2,(H3,19,20)(H,24,25)