4-[[6-[[(2R)-1-oxidanylbutan-2-yl]amino]pyridin-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[6-[[(2R)-1-oxidanylbutan-2-yl]amino]pyridin-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-[[(1R)-1-(hydroxymethyl)propyl]amino]-3-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[6-[[(2R)-1-hydroxybutan-2-yl]amino]-3-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-[[(2R)-1-hydroxybutan-2-yl]amino]pyridin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[6-[[(1R)-1-methylolpropyl]amino]-3-pyridyl]amino]butyrate Formula: C13H18N3O4- MolecularWeight: 280.29972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC=C(C=C1)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC[C@H](CO)NC1=NC=C(C=C1)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H19N3O4/c1-2-9(8-17)15-11-4-3-10(7-14-11)16-12(18)5-6-13(19)20/h3-4,7,9,17H,2,5-6,8H2,1H3,(H,14,15)(H,16,18)(H,19,20)/p-1/t9-/m1/s1