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

Systemtic Name: [(2-methylpropan-2-yl)oxycarbonylamino] 2-oxidanyl-3-phenyl-propanoate dihydrate Openeye Name: (tert-butoxycarbonylamino) 2-hydroxy-3-phenyl-propanoate dihydrate CAS Name: 2-hydroxy-3-phenylpropanoic acid [[(2-methylpropan-2-yl)oxy-oxomethyl]amino] ester dihydrate IUPAC Name: [(2-methylpropan-2-yl)oxycarbonylamino] 2-hydroxy-3-phenylpropanoate dihydrate Traditional Name: 2-hydroxy-3-phenyl-propionic acid (tert-butoxycarbonylamino) ester dihydrate Formula: C14H23NO7 MolecularWeight: 317.33492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NOC(=O)C(CC1=CC=CC=C1)O.O.O

Isomeric SMILES

CC(C)(C)OC(=O)NOC(=O)C(CC1=CC=CC=C1)O.O.O

InChI

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