2-azanyl-4-methyl-pentanoic acid; 2,6-bis(azanyl)hexanoic acid; (E)-but-2-enedioic acid

Systemtic Name: 2-azanyl-4-methyl-pentanoic acid; 2,6-bis(azanyl)hexanoic acid; (E)-but-2-enedioic acid Openeye Name: 2-amino-4-methyl-pentanoic acid; 2,6-diaminohexanoic acid; fumaric acid CAS Name: 2-amino-4-methylpentanoic acid; (E)-2-butenedioic acid; 2,6-diaminohexanoic acid IUPAC Name: 2-amino-4-methylpentanoic acid; (E)-but-2-enedioic acid; 2,6-diaminohexanoic acid Traditional Name: 2-amino-4-methyl-valeric acid; 2,6-diaminohexanoic acid; fumaric acid Formula: C16H31N3O8 MolecularWeight: 393.43264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC(C(=O)O)N.C(CCN)CC(C(=O)O)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C6H14N2O2.C6H13NO2.C4H4O4/c7-4-2-1-3-5(8)6(9)10;1-4(2)3-5(7)6(8)9;5-3(6)1-2-4(7)8/h5H,1-4,7-8H2,(H,9,10);4-5H,3,7H2,1-2H3,(H,8,9);1-2H,(H,5,6)(H,7,8)/b;;2-1+