4-[8-(4-carbamimidoylphenyl)carbonyl-1,3-bis(oxidanylidene)-2,4,8-triazaspiro[4.5]decan-2-yl]butanoic acid

Systemtic Name: 4-[8-(4-carbamimidoylphenyl)carbonyl-1,3-bis(oxidanylidene)-2,4,8-triazaspiro[4.5]decan-2-yl]butanoic acid Openeye Name: 4-[8-(4-carbamimidoylbenzoyl)-1,3-dioxo-2,4,8-triazaspiro[4.5]decan-2-yl]butanoic acid CAS Name: 4-[8-[(4-carbamimidoylphenyl)-oxomethyl]-1,3-dioxo-2,4,8-triazaspiro[4.5]decan-2-yl]butanoic acid IUPAC Name: 4-[8-(4-carbamimidoylbenzoyl)-1,3-dioxo-2,4,8-triazaspiro[4.5]decan-2-yl]butanoic acid Traditional Name: 4-[8-(4-amidinobenzoyl)-1,3-diketo-2,4,8-triazaspiro[4.5]decan-2-yl]butyric acid Formula: C19H23N5O5 MolecularWeight: 401.41642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C(=O)N(C(=O)N2)CCCC(=O)O)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC12C(=O)N(C(=O)N2)CCCC(=O)O)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H23N5O5/c20-15(21)12-3-5-13(6-4-12)16(27)23-10-7-19(8-11-23)17(28)24(18(29)22-19)9-1-2-14(25)26/h3-6H,1-2,7-11H2,(H3,20,21)(H,22,29)(H,25,26)