(2S)-2-[[2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[2-(2,3-dihydrobenzofuran-5-ylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[2-(2,3-dihydrobenzofuran-5-ylmethyl)-3-mercapto-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-sulfanylpropanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-(coumaran-5-ylmethyl)-3-mercapto-propanoyl]amino]propionic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CC1=CC2=C(C=C1)OCC2)CS

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C(CC1=CC2=C(C=C1)OCC2)CS

InChI

InChI=1S/C15H19NO4S/c1-9(15(18)19)16-14(17)12(8-21)7-10-2-3-13-11(6-10)4-5-20-13/h2-3,6,9,12,21H,4-5,7-8H2,1H3,(H,16,17)(H,18,19)/t9-,12?/m0/s1