(2S)-4-ethylsulfonyl-2-[(3,4,5-triethoxyphenyl)carbonylamino]butanoic acid

Systemtic Name: (2S)-4-ethylsulfonyl-2-[(3,4,5-triethoxyphenyl)carbonylamino]butanoic acid Openeye Name: (2S)-4-ethylsulfonyl-2-[(3,4,5-triethoxybenzoyl)amino]butanoic acid CAS Name: (2S)-4-ethylsulfonyl-2-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]butanoic acid IUPAC Name: (2S)-4-ethylsulfonyl-2-[(3,4,5-triethoxybenzoyl)amino]butanoic acid Traditional Name: (2S)-4-esyl-2-[(3,4,5-triethoxybenzoyl)amino]butyric acid Formula: C19H29NO8S MolecularWeight: 431.50046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(CCS(=O)(=O)CC)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N[C@@H](CCS(=O)(=O)CC)C(=O)O

InChI

InChI=1S/C19H29NO8S/c1-5-26-15-11-13(12-16(27-6-2)17(15)28-7-3)18(21)20-14(19(22)23)9-10-29(24,25)8-4/h11-12,14H,5-10H2,1-4H3,(H,20,21)(H,22,23)/t14-/m0/s1