2-[[(E)-13-oxidanyltridec-7-en-6-yl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[(E)-13-oxidanyltridec-7-en-6-yl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[(E)-8-hydroxy-1-pentyl-oct-2-enyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[(E)-13-hydroxytridec-7-en-6-yl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[(E)-13-hydroxytridec-7-en-6-yl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[(E)-1-amyl-8-hydroxy-oct-2-enyl]amino]-3-mercapto-propionic acid Formula: C16H31NO3S MolecularWeight: 317.48724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CCCCCCO)NC(CS)C(=O)O

Isomeric SMILES

CCCCCC(/C=C/CCCCCO)NC(CS)C(=O)O

InChI

InChI=1S/C16H31NO3S/c1-2-3-7-10-14(17-15(13-21)16(19)20)11-8-5-4-6-9-12-18/h8,11,14-15,17-18,21H,2-7,9-10,12-13H2,1H3,(H,19,20)/b11-8+