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

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2-sulfanyl-propanoate Openeye Name: 3-(tert-butoxycarbonylamino)-3-phenyl-2-sulfanyl-propanoate CAS Name: 2-mercapto-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2-sulfanylpropanoate Traditional Name: 3-(tert-butoxycarbonylamino)-2-mercapto-3-phenyl-propionate Formula: C14H18NO4S- MolecularWeight: 296.36202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(C(=O)[O-])S

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(C(=O)[O-])S

InChI

InChI=1S/C14H19NO4S/c1-14(2,3)19-13(18)15-10(11(20)12(16)17)9-7-5-4-6-8-9/h4-8,10-11,20H,1-3H3,(H,15,18)(H,16,17)/p-1