(phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propanoate Openeye Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-3-sulfanyl-propanoate CAS Name: (2S)-3-mercapto-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-mercapto-propionic acid benzyl ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CS)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CS)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H21NO4S/c1-15(2,3)20-14(18)16-12(10-21)13(17)19-9-11-7-5-4-6-8-11/h4-8,12,21H,9-10H2,1-3H3,(H,16,18)/t12-/m1/s1