4-oxidanylidene-4-[[6-[[(2S)-2-oxidanylpropyl]amino]pyridin-3-yl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[6-[[(2S)-2-oxidanylpropyl]amino]pyridin-3-yl]amino]butanoic acid Openeye Name: 4-[[6-[[(2S)-2-hydroxypropyl]amino]-3-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[6-[[(2S)-2-hydroxypropyl]amino]-3-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[6-[[(2S)-2-hydroxypropyl]amino]pyridin-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[6-[[(2S)-2-hydroxypropyl]amino]-3-pyridyl]amino]-4-keto-butyric acid Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC=C(C=C1)NC(=O)CCC(=O)O)O

Isomeric SMILES

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

InChI

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