1-[2-[bis(azanyl)methylideneamino]-2-oxidanylidene-ethyl]-2-(2-methylpropyl)-3-oxidanylidene-1H-isoindole-4-carboxylic acid

Systemtic Name: 1-[2-[bis(azanyl)methylideneamino]-2-oxidanylidene-ethyl]-2-(2-methylpropyl)-3-oxidanylidene-1H-isoindole-4-carboxylic acid Openeye Name: 1-(2-guanidino-2-oxo-ethyl)-2-isobutyl-3-oxo-isoindoline-4-carboxylic acid CAS Name: 1-[2-(diaminomethylideneamino)-2-oxoethyl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxylic acid IUPAC Name: 1-[2-(diaminomethylideneamino)-2-oxoethyl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxylic acid Traditional Name: 1-(2-guanidino-2-keto-ethyl)-2-isobutyl-3-keto-isoindoline-4-carboxylic acid Formula: C16H20N4O4 MolecularWeight: 332.3544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C2=CC=CC(=C2C1=O)C(=O)O)CC(=O)N=C(N)N

Isomeric SMILES

CC(C)CN1C(C2=CC=CC(=C2C1=O)C(=O)O)CC(=O)N=C(N)N

InChI

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