3-[2-carboxyethyl-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]propanoic acid

Systemtic Name: 3-[2-carboxyethyl-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]propanoic acid Openeye Name: 3-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-(2-carboxyethyl)amino]propanoic acid CAS Name: 3-[2-carboxyethyl-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]amino]propanoic acid IUPAC Name: 3-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-(2-carboxyethyl)amino]propanoic acid Traditional Name: 3-[[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-(2-carboxyethyl)amino]propionic acid Formula: C15H17N3O4S2 MolecularWeight: 367.44318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)N(CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)N(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C15H17N3O4S2/c19-12(20)6-8-18(9-7-13(21)22)14-16-17-15(24-14)23-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,20)(H,21,22)