2-[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanyl-ethyl]-3-methyl-pentanoate; (E)-but-2-enedioate

Systemtic Name: 2-[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanyl-ethyl]-3-methyl-pentanoate; (E)-but-2-enedioate Openeye Name: 2-[2-[(2-amino-2-oxo-ethyl)amino]-1-hydroxy-ethyl]-3-methyl-pentanoate; (E)-but-2-enedioate CAS Name: 2-[2-[(2-amino-2-oxoethyl)amino]-1-hydroxyethyl]-3-methylpentanoate; (E)-2-butenedioate IUPAC Name: 2-[2-[(2-amino-2-oxoethyl)amino]-1-hydroxyethyl]-3-methylpentanoate; (E)-but-2-enedioate Traditional Name: 2-[2-[(2-amino-2-keto-ethyl)amino]-1-hydroxy-ethyl]-3-methyl-valerate fumarate Formula: C14H21N2O8-3 MolecularWeight: 345.32514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CNCC(=O)N)O)C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC(C)C(C(CNCC(=O)N)O)C(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C10H20N2O4.C4H4O4/c1-3-6(2)9(10(15)16)7(13)4-12-5-8(11)14;5-3(6)1-2-4(7)8/h6-7,9,12-13H,3-5H2,1-2H3,(H2,11,14)(H,15,16);1-2H,(H,5,6)(H,7,8)/p-3/b;2-1+