(2S)-2-[[5-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-2-yl]carbonylamino]propanoate

Systemtic Name: (2S)-2-[[5-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-2-yl]carbonylamino]propanoate Openeye Name: (2S)-2-[[5-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[5-methyl-4-(1-pyrrolidin-1-iumylmethyl)-2-furanyl]-oxomethyl]amino]propanoate IUPAC Name: (2S)-2-[[5-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[5-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)-2-furoyl]amino]propionate Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)NC(C)C(=O)[O-])C[NH+]2CCCC2

Isomeric SMILES

CC1=C(C=C(O1)C(=O)N[C@@H](C)C(=O)[O-])C[NH+]2CCCC2

InChI

InChI=1S/C14H20N2O4/c1-9(14(18)19)15-13(17)12-7-11(10(2)20-12)8-16-5-3-4-6-16/h7,9H,3-6,8H2,1-2H3,(H,15,17)(H,18,19)/t9-/m0/s1