2-[(5-azanyl-2-ethanoylsulfanyl-phenyl)carbonyl-cyclopentyl-amino]ethanoic acid

Systemtic Name: 2-[(5-azanyl-2-ethanoylsulfanyl-phenyl)carbonyl-cyclopentyl-amino]ethanoic acid Openeye Name: 2-[(2-acetylsulfanyl-5-amino-benzoyl)-cyclopentyl-amino]acetic acid CAS Name: 2-[[[2-(acetylthio)-5-aminophenyl]-oxomethyl]-cyclopentylamino]acetic acid IUPAC Name: 2-[(2-acetylsulfanyl-5-aminobenzoyl)-cyclopentylamino]acetic acid Traditional Name: 2-[[2-(acetylthio)-5-amino-benzoyl]-cyclopentyl-amino]acetic acid Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=C(C=C(C=C1)N)C(=O)N(CC(=O)O)C2CCCC2

Isomeric SMILES

CC(=O)SC1=C(C=C(C=C1)N)C(=O)N(CC(=O)O)C2CCCC2

InChI

InChI=1S/C16H20N2O4S/c1-10(19)23-14-7-6-11(17)8-13(14)16(22)18(9-15(20)21)12-4-2-3-5-12/h6-8,12H,2-5,9,17H2,1H3,(H,20,21)