3-[3-(4-carbamimidoyl-2-methyl-phenyl)-4-oxidanylidene-3,8-diazaspiro[4.5]decan-8-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[3-(4-carbamimidoyl-2-methyl-phenyl)-4-oxidanylidene-3,8-diazaspiro[4.5]decan-8-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-(4-carbamimidoyl-2-methyl-phenyl)-4-oxo-3,8-diazaspiro[4.5]decan-8-yl]-3-oxo-propanoic acid CAS Name: 3-[3-(4-carbamimidoyl-2-methylphenyl)-4-oxo-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropanoic acid IUPAC Name: 3-[3-(4-carbamimidoyl-2-methylphenyl)-4-oxo-3,8-diazaspiro[4.5]decan-8-yl]-3-oxopropanoic acid Traditional Name: 3-[3-(4-amidino-2-methyl-phenyl)-4-keto-3,8-diazaspiro[4.5]decan-8-yl]-3-keto-propionic acid Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=N)N)N2CCC3(C2=O)CCN(CC3)C(=O)CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)N2CCC3(C2=O)CCN(CC3)C(=O)CC(=O)O

InChI

InChI=1S/C19H24N4O4/c1-12-10-13(17(20)21)2-3-14(12)23-9-6-19(18(23)27)4-7-22(8-5-19)15(24)11-16(25)26/h2-3,10H,4-9,11H2,1H3,(H3,20,21)(H,25,26)