4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propyl]benzoic acid

Systemtic Name: 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propyl]benzoic acid Openeye Name: 4-[2-(tert-butoxycarbonylamino)-3-sulfanyl-propyl]benzoic acid CAS Name: 4-[3-mercapto-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]benzoic acid IUPAC Name: 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropyl]benzoic acid Traditional Name: 4-[2-(tert-butoxycarbonylamino)-3-mercapto-propyl]benzoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(=O)O)CS

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(=O)O)CS

InChI

InChI=1S/C15H21NO4S/c1-15(2,3)20-14(19)16-12(9-21)8-10-4-6-11(7-5-10)13(17)18/h4-7,12,21H,8-9H2,1-3H3,(H,16,19)(H,17,18)