(2S)-2-azanyl-5-(ethylamino)-5-oxidanylidene-pentanoic acid; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: (2S)-2-azanyl-5-(ethylamino)-5-oxidanylidene-pentanoic acid; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: (2S)-2-amino-5-(ethylamino)-5-oxo-pentanoic acid; citric acid CAS Name: (2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: (2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: (2S)-2-amino-5-(ethylamino)-5-keto-valeric acid; citric acid Formula: C13H22N2O10 MolecularWeight: 366.32118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H14N2O3.C6H8O7/c1-2-9-6(10)4-3-5(8)7(11)12;7-3(8)1-6(13,5(11)12)2-4(9)10/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t5-;/m0./s1