3-[8-(4-carbamimidoyl-2-methyl-phenyl)-9-oxidanylidene-11-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[8-(4-carbamimidoyl-2-methyl-phenyl)-9-oxidanylidene-11-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[8-(4-carbamimidoyl-2-methyl-phenyl)-9-oxo-11-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-3-oxo-propanoic acid CAS Name: 3-[8-(4-carbamimidoyl-2-methylphenyl)-9-oxo-11-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-3-oxopropanoic acid IUPAC Name: 3-[8-(4-carbamimidoyl-2-methylphenyl)-9-oxo-11-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-3-oxopropanoic acid Traditional Name: 3-[8-(4-amidino-2-methyl-phenyl)-9-keto-11-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-3-keto-propionic acid Formula: C19H24N4O5 MolecularWeight: 388.41766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=N)N)N2CC3(CCN(CC3)C(=O)CC(=O)O)OCC2=O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)N2CC3(CCN(CC3)C(=O)CC(=O)O)OCC2=O

InChI

InChI=1S/C19H24N4O5/c1-12-8-13(18(20)21)2-3-14(12)23-11-19(28-10-16(23)25)4-6-22(7-5-19)15(24)9-17(26)27/h2-3,8H,4-7,9-11H2,1H3,(H3,20,21)(H,26,27)