(2R)-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid hydrate

Systemtic Name: (2R)-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid hydrate Openeye Name: (2R)-2-(benzyloxycarbonylamino)-4-tert-butoxy-4-oxo-butanoic acid hydrate CAS Name: (2R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid hydrate IUPAC Name: (2R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid hydrate Traditional Name: (2R)-2-(benzyloxycarbonylamino)-4-tert-butoxy-4-keto-butyric acid hydrate Formula: C16H23NO7 MolecularWeight: 341.35632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)C[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1.O

InChI

InChI=1S/C16H21NO6.H2O/c1-16(2,3)23-13(18)9-12(14(19)20)17-15(21)22-10-11-7-5-4-6-8-11;/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20);1H2/t12-;/m1./s1