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

Systemtic Name: 4-[[6-[[(2S)-butan-2-yl]amino]pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[6-[[(1S)-1-methylpropyl]amino]-3-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[6-[[(2S)-butan-2-yl]amino]-3-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[6-[[(2S)-butan-2-yl]amino]pyridin-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[6-[[(1S)-1-methylpropyl]amino]-3-pyridyl]amino]butyric acid Formula: C13H19N3O3 MolecularWeight: 265.30826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=C(C=C1)NC(=O)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3/c1-3-9(2)15-11-5-4-10(8-14-11)16-12(17)6-7-13(18)19/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t9-/m0/s1