(2R)-4-methylsulfanyl-2-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)carbonylamino]butanoic acid

Systemtic Name: (2R)-4-methylsulfanyl-2-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)carbonylamino]butanoic acid Openeye Name: (2R)-4-methylsulfanyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzofuran-3-carbonyl)amino]butanoic acid CAS Name: (2R)-2-[[(2-methyl-4,5,6,7-tetrahydrobenzofuran-3-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-4-methylsulfanyl-2-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carbonyl)amino]butanoic acid Traditional Name: (2R)-2-[(2-methyl-4,5,6,7-tetrahydrobenzofuran-3-carbonyl)amino]-4-(methylthio)butyric acid Formula: C15H21NO4S MolecularWeight: 311.39654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)CCCC2)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C2=C(O1)CCCC2)C(=O)N[C@H](CCSC)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-9-13(10-5-3-4-6-12(10)20-9)14(17)16-11(15(18)19)7-8-21-2/h11H,3-8H2,1-2H3,(H,16,17)(H,18,19)/t11-/m1/s1