(2R)-2-[[4-(2-tert-butyl-1,2-oxaziridin-3-yl)phenyl]carbonylamino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[4-(2-tert-butyl-1,2-oxaziridin-3-yl)phenyl]carbonylamino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[4-(2-tert-butyloxaziridin-3-yl)benzoyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[[4-(2-tert-butyl-3-oxaziridinyl)phenyl]-oxomethyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[[4-(2-tert-butyloxaziridin-3-yl)benzoyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[4-(2-tert-butyloxaziridin-3-yl)benzoyl]amino]-3-mercapto-propionic acid Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(O1)C2=CC=C(C=C2)C(=O)NC(CS)C(=O)O

Isomeric SMILES

CC(C)(C)N1C(O1)C2=CC=C(C=C2)C(=O)N[C@@H](CS)C(=O)O

InChI

InChI=1S/C15H20N2O4S/c1-15(2,3)17-13(21-17)10-6-4-9(5-7-10)12(18)16-11(8-22)14(19)20/h4-7,11,13,22H,8H2,1-3H3,(H,16,18)(H,19,20)/t11-,13?,17?/m0/s1