(2S)-2-azanylbutanedioic acid; (2S)-2-isocyanatopropanoic acid

Systemtic Name: (2S)-2-azanylbutanedioic acid; (2S)-2-isocyanatopropanoic acid Openeye Name: (2S)-2-aminobutanedioic acid; (2S)-2-isocyanatopropanoic acid CAS Name: (2S)-2-aminobutanedioic acid; (2S)-2-isocyanatopropanoic acid IUPAC Name: (2S)-2-aminobutanedioic acid; (2S)-2-isocyanatopropanoic acid Traditional Name: (2S)-2-aminosuccinic acid; (2S)-2-isocyanatopropionic acid Formula: C8H12N2O7 MolecularWeight: 248.19008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N=C=O.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)O)N=C=O.C([C@@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C4H7NO4.C4H5NO3/c5-2(4(8)9)1-3(6)7;1-3(4(7)8)5-2-6/h2H,1,5H2,(H,6,7)(H,8,9);3H,1H3,(H,7,8)/t2-;3-/m00/s1