6-[9-(4-carbamimidoylphenyl)carbonyl-3,9-diazaspiro[5.5]undecan-3-yl]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[9-(4-carbamimidoylphenyl)carbonyl-3,9-diazaspiro[5.5]undecan-3-yl]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[9-(4-carbamimidoylbenzoyl)-3,9-diazaspiro[5.5]undecan-3-yl]-6-oxo-hexanoic acid CAS Name: 6-[9-[(4-carbamimidoylphenyl)-oxomethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-6-oxohexanoic acid IUPAC Name: 6-[9-(4-carbamimidoylbenzoyl)-3,9-diazaspiro[5.5]undecan-3-yl]-6-oxohexanoic acid Traditional Name: 6-[9-(4-amidinobenzoyl)-3,9-diazaspiro[5.5]undecan-3-yl]-6-keto-hexanoic acid Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N)C(=O)CCCCC(=O)O

Isomeric SMILES

C1CN(CCC12CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N)C(=O)CCCCC(=O)O

InChI

InChI=1S/C23H32N4O4/c24-21(25)17-5-7-18(8-6-17)22(31)27-15-11-23(12-16-27)9-13-26(14-10-23)19(28)3-1-2-4-20(29)30/h5-8H,1-4,9-16H2,(H3,24,25)(H,29,30)