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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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