(Z,8R)-8-[(phenylmethyl)amino]-9-sulfanyl-non-6-enoic acid

Systemtic Name: (Z,8R)-8-[(phenylmethyl)amino]-9-sulfanyl-non-6-enoic acid Openeye Name: (Z,8R)-8-(benzylamino)-9-sulfanyl-non-6-enoic acid CAS Name: (Z,8R)-9-mercapto-8-[(phenylmethyl)amino]-6-nonenoic acid IUPAC Name: (Z,8R)-8-(benzylamino)-9-sulfanylnon-6-enoic acid Traditional Name: (Z,8R)-8-(benzylamino)-9-mercapto-non-6-enoic acid Formula: C16H23NO2S MolecularWeight: 293.42432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CS)C=CCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN[C@@H](CS)/C=C\CCCCC(=O)O

InChI

InChI=1S/C16H23NO2S/c18-16(19)11-7-2-1-6-10-15(13-20)17-12-14-8-4-3-5-9-14/h3-6,8-10,15,17,20H,1-2,7,11-13H2,(H,18,19)/b10-6-/t15-/m1/s1