(2S)-2-[[5-chloranyl-2-methoxy-4-(methylamino)phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[5-chloranyl-2-methoxy-4-(methylamino)phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[5-chloro-2-methoxy-4-(methylamino)benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[5-chloro-2-methoxy-4-(methylamino)phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[5-chloro-2-methoxy-4-(methylamino)benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[5-chloro-2-methoxy-4-(methylamino)benzoyl]amino]glutaric acid Formula: C14H17ClN2O6 MolecularWeight: 344.74758

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C(=C1)OC)C(=O)NC(CCC(=O)O)C(=O)O)Cl

Isomeric SMILES

CNC1=C(C=C(C(=C1)OC)C(=O)N[C@@H](CCC(=O)O)C(=O)O)Cl

InChI

InChI=1S/C14H17ClN2O6/c1-16-10-6-11(23-2)7(5-8(10)15)13(20)17-9(14(21)22)3-4-12(18)19/h5-6,9,16H,3-4H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)/t9-/m0/s1