2-[2,5-bis(oxidanyl)-4-sulfanyl-pentanoyl]-2-[(Z)-hept-2-en-3-yl]piperazine-1-carboxylic acid

Systemtic Name: 2-[2,5-bis(oxidanyl)-4-sulfanyl-pentanoyl]-2-[(Z)-hept-2-en-3-yl]piperazine-1-carboxylic acid Openeye Name: 2-(2,5-dihydroxy-4-sulfanyl-pentanoyl)-2-[(1Z)-1-ethylidenepentyl]piperazine-1-carboxylic acid CAS Name: 2-(2,5-dihydroxy-4-mercapto-1-oxopentyl)-2-[(Z)-hept-2-en-3-yl]-1-piperazinecarboxylic acid IUPAC Name: 2-(2,5-dihydroxy-4-sulfanylpentanoyl)-2-[(Z)-hept-2-en-3-yl]piperazine-1-carboxylic acid Traditional Name: 2-[(Z)-1-butylprop-1-enyl]-2-(2,5-dihydroxy-4-mercapto-pentanoyl)piperazine-1-carboxylic acid Formula: C17H30N2O5S MolecularWeight: 374.4955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC)C1(CNCCN1C(=O)O)C(=O)C(CC(CO)S)O

Isomeric SMILES

CCCC/C(=C/C)/C1(CNCCN1C(=O)O)C(=O)C(CC(CO)S)O

InChI

InChI=1S/C17H30N2O5S/c1-3-5-6-12(4-2)17(11-18-7-8-19(17)16(23)24)15(22)14(21)9-13(25)10-20/h4,13-14,18,20-21,25H,3,5-11H2,1-2H3,(H,23,24)/b12-4-