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

Systemtic Name: (2S)-4-ethylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoic acid Openeye Name: (2S)-4-ethylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid CAS Name: (2S)-4-(ethylthio)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]butanoic acid IUPAC Name: (2S)-4-ethylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid Traditional Name: (2S)-4-(ethylthio)-2-[(3,4,5-trimethoxybenzoyl)amino]butyric acid Formula: C16H23NO6S MolecularWeight: 357.42192

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(=O)O)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC

Isomeric SMILES

CCSCC[C@@H](C(=O)O)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C16H23NO6S/c1-5-24-7-6-11(16(19)20)17-15(18)10-8-12(21-2)14(23-4)13(9-10)22-3/h8-9,11H,5-7H2,1-4H3,(H,17,18)(H,19,20)/t11-/m0/s1