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

Systemtic Name: 3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]piperazino]propionic acid Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CN2CCN(CC2)CCC(=O)O

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CN2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C13H20N4O3S/c1-10-9-21-13(14-10)15-11(18)8-17-6-4-16(5-7-17)3-2-12(19)20/h9H,2-8H2,1H3,(H,19,20)(H,14,15,18)