5-[9-(4-carbamimidoylphenyl)carbonyl-3,9-diazaspiro[5.5]undecan-3-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[9-(4-carbamimidoylphenyl)carbonyl-3,9-diazaspiro[5.5]undecan-3-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[9-(4-carbamimidoylbenzoyl)-3,9-diazaspiro[5.5]undecan-3-yl]-5-oxo-pentanoic acid CAS Name: 5-[9-[(4-carbamimidoylphenyl)-oxomethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-5-oxopentanoic acid IUPAC Name: 5-[9-(4-carbamimidoylbenzoyl)-3,9-diazaspiro[5.5]undecan-3-yl]-5-oxopentanoic acid Traditional Name: 5-[9-(4-amidinobenzoyl)-3,9-diazaspiro[5.5]undecan-3-yl]-5-keto-valeric acid Formula: C22H30N4O4 MolecularWeight: 414.498

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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)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4/c23-20(24)16-4-6-17(7-5-16)21(30)26-14-10-22(11-15-26)8-12-25(13-9-22)18(27)2-1-3-19(28)29/h4-7H,1-3,8-15H2,(H3,23,24)(H,28,29)