(2S)-2-[[(E)-4-oxidanylidenepent-2-en-2-yl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[(E)-4-oxidanylidenepent-2-en-2-yl]amino]butanedioic acid Openeye Name: (2S)-2-[[(E)-1-methyl-3-oxo-but-1-enyl]amino]butanedioic acid CAS Name: (2S)-2-[[(E)-4-oxopent-2-en-2-yl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(E)-4-oxopent-2-en-2-yl]amino]butanedioic acid Traditional Name: (2S)-2-[[(E)-3-keto-1-methyl-but-1-enyl]amino]succinic acid Formula: C9H13NO5 MolecularWeight: 215.20322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C/C(=C\C(=O)C)/N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C9H13NO5/c1-5(3-6(2)11)10-7(9(14)15)4-8(12)13/h3,7,10H,4H2,1-2H3,(H,12,13)(H,14,15)/b5-3+/t7-/m0/s1