2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[(3-methyl-5-isoxazolyl)amino]-2-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-keto-2-[(3-methylisoxazol-5-yl)amino]ethyl]piperazino]acetic acid Formula: C12H18N4O4 MolecularWeight: 282.29572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)CN2CCN(CC2)CC(=O)O

Isomeric SMILES

CC1=NOC(=C1)NC(=O)CN2CCN(CC2)CC(=O)O

InChI

InChI=1S/C12H18N4O4/c1-9-6-11(20-14-9)13-10(17)7-15-2-4-16(5-3-15)8-12(18)19/h6H,2-5,7-8H2,1H3,(H,13,17)(H,18,19)