
 SCHEMBL8831778

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M  END

>  <Chemical Name>
SCHEMBL8831778

>  <PubChem CID>
67705326

>  <Formula>
C18H17Cl2N3O5S

>  <Molecular Weight>
458.310000

>  <IUPAC Name>
(1R,2R,3S,4S,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]-4-(1H-imidazol-2-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid

>  <XlogP>
-0.5

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CC(=C(C=C1COC2C(C3C(C3C2(C(=O)O)N)C(=O)O)SC4=NC=CN4)Cl)Cl

>  <Isomeric SMILES>
C1=CC(=C(C=C1CO[C@@H]2[C@H]([C@H]3[C@@H]([C@H]3[C@@]2(C(=O)O)N)C(=O)O)SC4=NC=CN4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C18H17Cl2N3O5S/c19-8-2-1-7(5-9(8)20)6-28-14-13(29-17-22-3-4-23-17)10-11(15(24)25)12(10)18(14,21)16(26)27/h1-5,10-14H,6,21H2,(H,22,23)(H,24,25)(H,26,27)/t10-,11-,12-,13-,14+,18+/m0/s1

>  <InChI Key>
AAQAEWBPCIXLCR-WCPNNMOOSA-N

