3-[2-[bis(azanyl)methylideneamino]-2-oxidanylidene-ethyl]-2-(2-methylpropyl)-1-oxidanylidene-3H-isoindole-5-carboxylic acid

Systemtic Name: 3-[2-[bis(azanyl)methylideneamino]-2-oxidanylidene-ethyl]-2-(2-methylpropyl)-1-oxidanylidene-3H-isoindole-5-carboxylic acid Openeye Name: 3-(2-guanidino-2-oxo-ethyl)-2-isobutyl-1-oxo-isoindoline-5-carboxylic acid CAS Name: 3-[2-(diaminomethylideneamino)-2-oxoethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxylic acid IUPAC Name: 3-[2-(diaminomethylideneamino)-2-oxoethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxylic acid Traditional Name: 3-(2-guanidino-2-keto-ethyl)-2-isobutyl-1-keto-isoindoline-5-carboxylic acid Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C2=C(C1=O)C=CC(=C2)C(=O)O)CC(=O)N=C(N)N

Isomeric SMILES

CC(C)CN1C(C2=C(C1=O)C=CC(=C2)C(=O)O)CC(=O)N=C(N)N

InChI

InChI=1S/C16H20N4O4/c1-8(2)7-20-12(6-13(21)19-16(17)18)11-5-9(15(23)24)3-4-10(11)14(20)22/h3-5,8,12H,6-7H2,1-2H3,(H,23,24)(H4,17,18,19,21)