(2S)-4-methylsulfonyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfonyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoic acid Openeye Name: (2S)-4-methylsulfonyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid CAS Name: (2S)-4-methylsulfonyl-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfonyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid Traditional Name: (2S)-4-mesyl-2-[(3,4,5-trimethoxybenzoyl)amino]butyric acid Formula: C15H21NO8S MolecularWeight: 375.39414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C15H21NO8S/c1-22-11-7-9(8-12(23-2)13(11)24-3)14(17)16-10(15(18)19)5-6-25(4,20)21/h7-8,10H,5-6H2,1-4H3,(H,16,17)(H,18,19)/t10-/m0/s1