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

Systemtic Name: 3-[[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: 3-[[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid CAS Name: 3-[[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3-mercapto-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanylpropanoyl]amino]propanoic acid Traditional Name: 3-[[(2S)-3-(1,3-benzodioxol-5-yl)-2-(mercaptomethyl)propanoyl]amino]propionic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(CS)C(=O)NCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[C@H](CS)C(=O)NCCC(=O)O

InChI

InChI=1S/C14H17NO5S/c16-13(17)3-4-15-14(18)10(7-21)5-9-1-2-11-12(6-9)20-8-19-11/h1-2,6,10,21H,3-5,7-8H2,(H,15,18)(H,16,17)/t10-/m1/s1