2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-3-sulfanylbutanoic acid Traditional Name: 3-mercapto-3-methyl-2-(1-pyrrolin-2-ylamino)butyric acid Formula: C9H16N2O2S MolecularWeight: 216.30054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC1=NCCC1)S

Isomeric SMILES

CC(C)(C(C(=O)O)NC1=NCCC1)S

InChI

InChI=1S/C9H16N2O2S/c1-9(2,14)7(8(12)13)11-6-4-3-5-10-6/h7,14H,3-5H2,1-2H3,(H,10,11)(H,12,13)