ditert-butyl 2-[(2S)-3-oxidanyl-2-(phenylmethoxycarbonylamino)propylidene]propanedioate

Systemtic Name: ditert-butyl 2-[(2S)-3-oxidanyl-2-(phenylmethoxycarbonylamino)propylidene]propanedioate Openeye Name: ditert-butyl 2-[(2S)-2-(benzyloxycarbonylamino)-3-hydroxy-propylidene]propanedioate CAS Name: 2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propylidene]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propylidene]propanedioate Traditional Name: 2-[(2S)-2-(benzyloxycarbonylamino)-3-hydroxy-propylidene]malonic acid ditert-butyl ester Formula: C22H31NO7 MolecularWeight: 421.48404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO7/c1-21(2,3)29-18(25)17(19(26)30-22(4,5)6)12-16(13-24)23-20(27)28-14-15-10-8-7-9-11-15/h7-12,16,24H,13-14H2,1-6H3,(H,23,27)/t16-/m0/s1