5-[[(2S)-2-[(2R)-2-carboxy-2-oxidanyl-5-oxidanylidene-pyrrolidin-1-yl]propanoyl]amino]-2-oxidanyl-pentane-1,2,3-tricarboxylic acid

Systemtic Name: 5-[[(2S)-2-[(2R)-2-carboxy-2-oxidanyl-5-oxidanylidene-pyrrolidin-1-yl]propanoyl]amino]-2-oxidanyl-pentane-1,2,3-tricarboxylic acid Openeye Name: 5-[[(2S)-2-[(2R)-2-carboxy-2-hydroxy-5-oxo-pyrrolidin-1-yl]propanoyl]amino]-2-hydroxy-pentane-1,2,3-tricarboxylic acid CAS Name: 5-[[(2S)-2-[(2R)-2-carboxy-2-hydroxy-5-oxo-1-pyrrolidinyl]-1-oxopropyl]amino]-2-hydroxypentane-1,2,3-tricarboxylic acid IUPAC Name: 5-[[(2S)-2-[(2R)-2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl]propanoyl]amino]-2-hydroxypentane-1,2,3-tricarboxylic acid Traditional Name: 5-[[(2S)-2-[(2R)-2-carboxy-2-hydroxy-5-keto-pyrrolidino]propanoyl]amino]-2-hydroxy-pentane-1,2,3-tricarboxylic acid Formula: C16H22N2O12 MolecularWeight: 434.35208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O)N1C(=O)CCC1(C(=O)O)O

Isomeric SMILES

C[C@@H](C(=O)NCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O)N1C(=O)CC[C@]1(C(=O)O)O

InChI

InChI=1S/C16H22N2O12/c1-7(18-9(19)2-4-16(18,30)14(27)28)11(22)17-5-3-8(12(23)24)15(29,13(25)26)6-10(20)21/h7-8,29-30H,2-6H2,1H3,(H,17,22)(H,20,21)(H,23,24)(H,25,26)(H,27,28)/t7-,8?,15?,16+/m0/s1