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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-yl)-1-oxidanyl-5-(sulfanylmethyl)pyrrolidin-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(1,3-benzodioxol-5-yl)-1-hydroxy-5-(sulfanylmethyl)pyrrolidine-2-carbonyl]amino]acetic acid CAS Name: 2-[[[4-(1,3-benzodioxol-5-yl)-1-hydroxy-5-(mercaptomethyl)-2-pyrrolidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-(1,3-benzodioxol-5-yl)-1-hydroxy-5-(sulfanylmethyl)pyrrolidine-2-carbonyl]amino]acetic acid Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)-1-hydroxy-5-(mercaptomethyl)prolyl]amino]acetic acid Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N(C1C(=O)NCC(=O)O)O)CS)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C(C(N(C1C(=O)NCC(=O)O)O)CS)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H18N2O6S/c18-14(19)5-16-15(20)10-4-9(11(6-24)17(10)21)8-1-2-12-13(3-8)23-7-22-12/h1-3,9-11,21,24H,4-7H2,(H,16,20)(H,18,19)