(2R)-3-dibenzofuran-2-yl-2-[(2R)-2-(prop-2-enoxycarbonylamino)propanoyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-3-dibenzofuran-2-yl-2-[(2R)-2-(prop-2-enoxycarbonylamino)propanoyl]sulfanyl-propanoic acid Openeye Name: (2R)-2-[(2R)-2-(allyloxycarbonylamino)propanoyl]sulfanyl-3-dibenzofuran-2-yl-propanoic acid CAS Name: (2R)-3-(2-dibenzofuranyl)-2-[[(2R)-1-oxo-2-[[oxo(prop-2-enoxy)methyl]amino]propyl]thio]propanoic acid IUPAC Name: (2R)-3-dibenzofuran-2-yl-2-[(2R)-2-(prop-2-enoxycarbonylamino)propanoyl]sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2R)-2-(allyloxycarbonylamino)propanoyl]thio]-3-dibenzofuran-2-yl-propionic acid Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)SC(CC1=CC2=C(C=C1)OC3=CC=CC=C32)C(=O)O)NC(=O)OCC=C

Isomeric SMILES

C[C@H](C(=O)S[C@H](CC1=CC2=C(C=C1)OC3=CC=CC=C32)C(=O)O)NC(=O)OCC=C

InChI

InChI=1S/C22H21NO6S/c1-3-10-28-22(27)23-13(2)21(26)30-19(20(24)25)12-14-8-9-18-16(11-14)15-6-4-5-7-17(15)29-18/h3-9,11,13,19H,1,10,12H2,2H3,(H,23,27)(H,24,25)/t13-,19-/m1/s1