3-[2-azanyl-2-[4-(carboxymethyloxy)-2-chloranyl-phenyl]carbonyl-butyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-azanyl-2-[4-(carboxymethyloxy)-2-chloranyl-phenyl]carbonyl-butyl]sulfanylpropanoic acid Openeye Name: 3-[2-amino-2-[4-(carboxymethyloxy)-2-chloro-benzoyl]butyl]sulfanylpropanoic acid CAS Name: 3-[[2-amino-2-[[4-(carboxymethyloxy)-2-chlorophenyl]-oxomethyl]butyl]thio]propanoic acid IUPAC Name: 3-[2-amino-2-[4-(carboxymethyloxy)-2-chlorobenzoyl]butyl]sulfanylpropanoic acid Traditional Name: 3-[[2-amino-2-[4-(carboxymethyloxy)-2-chloro-benzoyl]butyl]thio]propionic acid Formula: C16H20ClNO6S MolecularWeight: 389.8511

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSCCC(=O)O)(C(=O)C1=C(C=C(C=C1)OCC(=O)O)Cl)N

Isomeric SMILES

CCC(CSCCC(=O)O)(C(=O)C1=C(C=C(C=C1)OCC(=O)O)Cl)N

InChI

InChI=1S/C16H20ClNO6S/c1-2-16(18,9-25-6-5-13(19)20)15(23)11-4-3-10(7-12(11)17)24-8-14(21)22/h3-4,7H,2,5-6,8-9,18H2,1H3,(H,19,20)(H,21,22)