4-oxidanylidene-4-[[5-[[(2S)-2-oxidanylpropyl]amino]pyridin-2-yl]amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[[5-[[(2S)-2-oxidanylpropyl]amino]pyridin-2-yl]amino]butanoate Openeye Name: 4-[[5-[[(2S)-2-hydroxypropyl]amino]-2-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[5-[[(2S)-2-hydroxypropyl]amino]-2-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-[[(2S)-2-hydroxypropyl]amino]pyridin-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-[[(2S)-2-hydroxypropyl]amino]-2-pyridyl]amino]-4-keto-butyrate Formula: C12H16N3O4- MolecularWeight: 266.27314

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CN=C(C=C1)NC(=O)CCC(=O)[O-])O

Isomeric SMILES

C[C@@H](CNC1=CN=C(C=C1)NC(=O)CCC(=O)[O-])O

InChI

InChI=1S/C12H17N3O4/c1-8(16)6-13-9-2-3-10(14-7-9)15-11(17)4-5-12(18)19/h2-3,7-8,13,16H,4-6H2,1H3,(H,18,19)(H,14,15,17)/p-1/t8-/m0/s1