(2S)-2-[[2-[(4-ethoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[2-[(4-ethoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[2-[(4-ethoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[2-[(4-ethoxyphenyl)methyl]-3-mercapto-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-[(4-ethoxyphenyl)methyl]-3-sulfanylpropanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-(4-ethoxybenzyl)-3-mercapto-propanoyl]amino]propionic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(CS)C(=O)NC(C)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(CS)C(=O)N[C@@H](C)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-3-20-13-6-4-11(5-7-13)8-12(9-21)14(17)16-10(2)15(18)19/h4-7,10,12,21H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)/t10-,12?/m0/s1