(2S)-2-[[(2S)-4-(1,3-benzodioxol-5-yl)-1-oxidanyl-5-(sulfanylmethyl)pyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-4-(1,3-benzodioxol-5-yl)-1-oxidanyl-5-(sulfanylmethyl)pyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[(2S)-4-(1,3-benzodioxol-5-yl)-1-hydroxy-5-(sulfanylmethyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[(2S)-4-(1,3-benzodioxol-5-yl)-1-hydroxy-5-(mercaptomethyl)-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-4-(1,3-benzodioxol-5-yl)-1-hydroxy-5-(sulfanylmethyl)pyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-4-(1,3-benzodioxol-5-yl)-1-hydroxy-5-(mercaptomethyl)prolyl]amino]propionic acid Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1CC(C(N1O)CS)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@@H]1CC(C(N1O)CS)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H20N2O6S/c1-8(16(20)21)17-15(19)11-5-10(12(6-25)18(11)22)9-2-3-13-14(4-9)24-7-23-13/h2-4,8,10-12,22,25H,5-7H2,1H3,(H,17,19)(H,20,21)/t8-,10?,11-,12?/m0/s1