(2R,3R)-5-(1,3-benzoxazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-oxidanyl-pentanoic acid

Systemtic Name: (2R,3R)-5-(1,3-benzoxazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-oxidanyl-pentanoic acid Openeye Name: (2R,3R)-5-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid CAS Name: (2R,3R)-5-(1,3-benzoxazol-2-ylthio)-3-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid IUPAC Name: (2R,3R)-5-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid Traditional Name: (2R,3R)-5-(1,3-benzoxazol-2-ylthio)-3-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]valeric acid Formula: C25H24N2O7S2 MolecularWeight: 528.59726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(C(CCSC3=NC4=CC=CC=C4O3)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N[C@H]([C@@H](CCSC3=NC4=CC=CC=C4O3)O)C(=O)O

InChI

InChI=1S/C25H24N2O7S2/c1-33-18-10-6-16(7-11-18)17-8-12-19(13-9-17)36(31,32)27-23(24(29)30)21(28)14-15-35-25-26-20-4-2-3-5-22(20)34-25/h2-13,21,23,27-28H,14-15H2,1H3,(H,29,30)/t21-,23-/m1/s1