3-[[(2S)-butan-2-yl]-(2,5-dimethylfuran-3-yl)carbonyl-amino]propanoate

Systemtic Name: 3-[[(2S)-butan-2-yl]-(2,5-dimethylfuran-3-yl)carbonyl-amino]propanoate Openeye Name: 3-[(2,5-dimethylfuran-3-carbonyl)-[(1S)-1-methylpropyl]amino]propanoate CAS Name: 3-[[(2S)-butan-2-yl]-[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]propanoate IUPAC Name: 3-[[(2S)-butan-2-yl]-(2,5-dimethylfuran-3-carbonyl)amino]propanoate Traditional Name: 3-[(2,5-dimethyl-3-furoyl)-[(1S)-1-methylpropyl]amino]propionate Formula: C14H20NO4- MolecularWeight: 266.3129

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CCC(=O)[O-])C(=O)C1=C(OC(=C1)C)C

Isomeric SMILES

CC[C@H](C)N(CCC(=O)[O-])C(=O)C1=C(OC(=C1)C)C

InChI

InChI=1S/C14H21NO4/c1-5-9(2)15(7-6-13(16)17)14(18)12-8-10(3)19-11(12)4/h8-9H,5-7H2,1-4H3,(H,16,17)/p-1/t9-/m0/s1