(2S,3R)-3-(3-chloranyl-4-phenylmethoxy-phenyl)-3-oxidanyl-2-(prop-2-enoxycarbonylamino)propanoic acid

Systemtic Name: (2S,3R)-3-(3-chloranyl-4-phenylmethoxy-phenyl)-3-oxidanyl-2-(prop-2-enoxycarbonylamino)propanoic acid Openeye Name: (2S,3R)-2-(allyloxycarbonylamino)-3-(4-benzyloxy-3-chloro-phenyl)-3-hydroxy-propanoic acid CAS Name: (2S,3R)-3-(3-chloro-4-phenylmethoxyphenyl)-3-hydroxy-2-[[oxo(prop-2-enoxy)methyl]amino]propanoic acid IUPAC Name: (2S,3R)-3-(3-chloro-4-phenylmethoxyphenyl)-3-hydroxy-2-(prop-2-enoxycarbonylamino)propanoic acid Traditional Name: (2S,3R)-2-(allyloxycarbonylamino)-3-(4-benzoxy-3-chloro-phenyl)-3-hydroxy-propionic acid Formula: C20H20ClNO6 MolecularWeight: 405.8289

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)NC(C(C1=CC(=C(C=C1)OCC2=CC=CC=C2)Cl)O)C(=O)O

Isomeric SMILES

C=CCOC(=O)N[C@@H]([C@@H](C1=CC(=C(C=C1)OCC2=CC=CC=C2)Cl)O)C(=O)O

InChI

InChI=1S/C20H20ClNO6/c1-2-10-27-20(26)22-17(19(24)25)18(23)14-8-9-16(15(21)11-14)28-12-13-6-4-3-5-7-13/h2-9,11,17-18,23H,1,10,12H2,(H,22,26)(H,24,25)/t17-,18+/m0/s1