4-[2-(4-azanyl-2-methyl-phenyl)sulfanylethanoylamino]butanoic acid

Systemtic Name: 4-[2-(4-azanyl-2-methyl-phenyl)sulfanylethanoylamino]butanoic acid Openeye Name: 4-[[2-(4-amino-2-methyl-phenyl)sulfanylacetyl]amino]butanoic acid CAS Name: 4-[[2-[(4-amino-2-methylphenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(4-amino-2-methylphenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 4-[[2-[(4-amino-2-methyl-phenyl)thio]acetyl]amino]butyric acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)SCC(=O)NCCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N)SCC(=O)NCCCC(=O)O

InChI

InChI=1S/C13H18N2O3S/c1-9-7-10(14)4-5-11(9)19-8-12(16)15-6-2-3-13(17)18/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,16)(H,17,18)