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

Systemtic Name: 3-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[2-[(3-methyl-5-isoxazolyl)amino]-2-oxoethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-keto-2-[(3-methylisoxazol-5-yl)amino]ethyl]piperazino]propionic acid Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O4/c1-10-8-12(21-15-10)14-11(18)9-17-6-4-16(5-7-17)3-2-13(19)20/h8H,2-7,9H2,1H3,(H,14,18)(H,19,20)