6-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-3,8-diazaspiro[4.5]decan-8-yl]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-3,8-diazaspiro[4.5]decan-8-yl]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[3-(4-carbamimidoylphenyl)-2-oxo-3,8-diazaspiro[4.5]decan-8-yl]-6-oxo-hexanoic acid CAS Name: 6-[3-(4-carbamimidoylphenyl)-2-oxo-3,8-diazaspiro[4.5]decan-8-yl]-6-oxohexanoic acid IUPAC Name: 6-[3-(4-carbamimidoylphenyl)-2-oxo-3,8-diazaspiro[4.5]decan-8-yl]-6-oxohexanoic acid Traditional Name: 6-[3-(4-amidinophenyl)-2-keto-3,8-diazaspiro[4.5]decan-8-yl]-6-keto-hexanoic acid Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CC(=O)N(C2)C3=CC=C(C=C3)C(=N)N)C(=O)CCCCC(=O)O

Isomeric SMILES

C1CN(CCC12CC(=O)N(C2)C3=CC=C(C=C3)C(=N)N)C(=O)CCCCC(=O)O

InChI

InChI=1S/C21H28N4O4/c22-20(23)15-5-7-16(8-6-15)25-14-21(13-18(25)27)9-11-24(12-10-21)17(26)3-1-2-4-19(28)29/h5-8H,1-4,9-14H2,(H3,22,23)(H,28,29)