O5-tert-butyl O1-methyl (4S)-2-[oxidanyl(phenyl)methyl]-4-(phenylmethoxycarbonylamino)pentanedioate

Systemtic Name: O5-tert-butyl O1-methyl (4S)-2-[oxidanyl(phenyl)methyl]-4-(phenylmethoxycarbonylamino)pentanedioate Openeye Name: O1-tert-butyl O5-methyl (2S)-2-(benzyloxycarbonylamino)-4-[hydroxy(phenyl)methyl]pentanedioate CAS Name: (4S)-2-[hydroxy(phenyl)methyl]-4-(phenylmethoxycarbonylamino)pentanedioic acid O5-tert-butyl ester O1-methyl ester IUPAC Name: 5-O-tert-butyl 1-O-methyl (4S)-2-[hydroxy(phenyl)methyl]-4-(phenylmethoxycarbonylamino)pentanedioate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-[hydroxy(phenyl)methyl]glutaric acid O1-tert-butyl ester O5-methyl ester Formula: C25H31NO7 MolecularWeight: 457.51614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC(C(C1=CC=CC=C1)O)C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC(C(C1=CC=CC=C1)O)C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H31NO7/c1-25(2,3)33-23(29)20(26-24(30)32-16-17-11-7-5-8-12-17)15-19(22(28)31-4)21(27)18-13-9-6-10-14-18/h5-14,19-21,27H,15-16H2,1-4H3,(H,26,30)/t19?,20-,21?/m0/s1