(2S)-6-azanyl-2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]hexanoic acid CAS Name: (2S)-6-amino-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]hexanoic acid Traditional Name: (2S)-6-amino-2-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]hexanoic acid Formula: C14H23N3O4 MolecularWeight: 297.35012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC(CCCCN)C(=O)O)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)CN[C@@H](CCCCN)C(=O)O)CO

InChI

InChI=1S/C14H23N3O4/c1-9-13(19)11(10(8-18)6-16-9)7-17-12(14(20)21)4-2-3-5-15/h6,12,17-19H,2-5,7-8,15H2,1H3,(H,20,21)/t12-/m0/s1