3-[[(2S)-butan-2-yl]-(furan-3-ylcarbonyl)amino]propanoate

Systemtic Name: 3-[[(2S)-butan-2-yl]-(furan-3-ylcarbonyl)amino]propanoate Openeye Name: 3-[furan-3-carbonyl-[(1S)-1-methylpropyl]amino]propanoate CAS Name: 3-[[(2S)-butan-2-yl]-[3-furanyl(oxo)methyl]amino]propanoate IUPAC Name: 3-[[(2S)-butan-2-yl]-(furan-3-carbonyl)amino]propanoate Traditional Name: 3-[3-furoyl-[(1S)-1-methylpropyl]amino]propionate Formula: C12H16NO4- MolecularWeight: 238.25974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4/c1-3-9(2)13(6-4-11(14)15)12(16)10-5-7-17-8-10/h5,7-9H,3-4,6H2,1-2H3,(H,14,15)/p-1/t9-/m0/s1