2-[(2-azanyl-3-sulfanyl-propanoyl)-phenyl-amino]-2-ethyl-butanoic acid

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propanoyl)-phenyl-amino]-2-ethyl-butanoic acid Openeye Name: 2-(N-(2-amino-3-sulfanyl-propanoyl)anilino)-2-ethyl-butanoic acid CAS Name: 2-(N-(2-amino-3-mercapto-1-oxopropyl)anilino)-2-ethylbutanoic acid IUPAC Name: 2-(N-(2-amino-3-sulfanylpropanoyl)anilino)-2-ethylbutanoic acid Traditional Name: 2-(N-(2-amino-3-mercapto-propanoyl)anilino)-2-ethyl-butyric acid Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)O)N(C1=CC=CC=C1)C(=O)C(CS)N

Isomeric SMILES

CCC(CC)(C(=O)O)N(C1=CC=CC=C1)C(=O)C(CS)N

InChI

InChI=1S/C15H22N2O3S/c1-3-15(4-2,14(19)20)17(13(18)12(16)10-21)11-8-6-5-7-9-11/h5-9,12,21H,3-4,10,16H2,1-2H3,(H,19,20)