O1-tert-butyl O6-(phenylmethyl) (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-hexanedioate

Systemtic Name: O1-tert-butyl O6-(phenylmethyl) (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-hexanedioate Openeye Name: O1-benzyl O6-tert-butyl (3S,4R)-3-(tert-butoxycarbonylamino)-4-hydroxy-hexanedioate CAS Name: (3R,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanedioic acid O1-tert-butyl ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-tert-butyl (3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate Traditional Name: (3S,4R)-3-(tert-butoxycarbonylamino)-4-hydroxy-adipic acid O1-benzyl ester O6-tert-butyl ester Formula: C22H33NO7 MolecularWeight: 423.49992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO7/c1-21(2,3)29-19(26)13-17(24)16(23-20(27)30-22(4,5)6)12-18(25)28-14-15-10-8-7-9-11-15/h7-11,16-17,24H,12-14H2,1-6H3,(H,23,27)/t16-,17+/m0/s1