2,6-bis(azanyl)hexanoic acid; 4-oxidanyl-3-[(E)-3-thiophen-2-ylprop-2-enoyl]-2H-furan-5-one

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 4-oxidanyl-3-[(E)-3-thiophen-2-ylprop-2-enoyl]-2H-furan-5-one Openeye Name: 2,6-diaminohexanoic acid; 4-hydroxy-3-[(E)-3-(2-thienyl)prop-2-enoyl]-2H-furan-5-one CAS Name: 2,6-diaminohexanoic acid; 4-hydroxy-3-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-2H-furan-5-one IUPAC Name: 2,6-diaminohexanoic acid; 4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]-2H-furan-5-one Traditional Name: 2,6-diaminohexanoic acid; 4-hydroxy-3-[(E)-3-(2-thienyl)acryloyl]-2H-furan-5-one Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C(=O)O1)O)C(=O)C=CC2=CC=CS2.C(CCN)CC(C(=O)O)N

Isomeric SMILES

C1C(=C(C(=O)O1)O)C(=O)/C=C/C2=CC=CS2.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C11H8O4S.C6H14N2O2/c12-9(4-3-7-2-1-5-16-7)8-6-15-11(14)10(8)13;7-4-2-1-3-5(8)6(9)10/h1-5,13H,6H2;5H,1-4,7-8H2,(H,9,10)/b4-3+;