Name: cl-316243 free diacid
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HIT ID:HIT218695159
Cas No:183720-02-7
Common Name:cl-316243 free diacid
IUPAC:5-[(2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}propyl]-2H-1,3-benzodioxole-2,2-dicarboxylic acid
IUPAC:5-[(2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}propyl]-2H-1,3-benzodioxole-2,2-dicarboxylic acid
InChIKey:JEDJMKTVUPSHFW-ABAIWWIYSA-N

Molecular Formula:C20H20ClNO7
Molecular Weight:421.83
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:C[C@H](Cc1ccc2OC(Oc2c1)(C(O)=O)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
SMILES:C[C@H](Cc1ccc2OC(Oc2c1)(C(O)=O)C(O)=O)NC[C@H](O)c1cccc(Cl)c1

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