(2S)-2-[deuterio-(3,4,5-trimethoxyphenyl)carbonyl-amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[deuterio-(3,4,5-trimethoxyphenyl)carbonyl-amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[deuterio-(3,4,5-trimethoxybenzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[deuterio-[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[deuterio-(3,4,5-trimethoxybenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[deuterio-(3,4,5-trimethoxybenzoyl)amino]-4-(methylthio)butyric acid Formula: C15H21NO6S MolecularWeight: 344.401502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

[2H]N([C@@H](CCSC)C(=O)O)C(=O)C1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C15H21NO6S/c1-20-11-7-9(8-12(21-2)13(11)22-3)14(17)16-10(15(18)19)5-6-23-4/h7-8,10H,5-6H2,1-4H3,(H,16,17)(H,18,19)/t10-/m0/s1/i/hD