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

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-3-phenyl-propanoate dihydrate Openeye Name: 3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenyl-propanoate dihydrate CAS Name: 2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoate dihydrate IUPAC Name: 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate dihydrate Traditional Name: 3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenyl-propionate dihydrate Formula: C14H22NO7- MolecularWeight: 316.32698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5.2H2O/c1-14(2,3)20-13(19)15-10(11(16)12(17)18)9-7-5-4-6-8-9;;/h4-8,10-11,16H,1-3H3,(H,15,19)(H,17,18);2*1H2/p-1