O1-tert-butyl O5-(phenylmethyl) (2R)-2-[(6S)-6-azanyl-6-methyl-1,4-diazepan-1-yl]pentanedioate

Systemtic Name: O1-tert-butyl O5-(phenylmethyl) (2R)-2-[(6S)-6-azanyl-6-methyl-1,4-diazepan-1-yl]pentanedioate Openeye Name: O5-benzyl O1-tert-butyl (2R)-2-[(6S)-6-amino-6-methyl-1,4-diazepan-1-yl]pentanedioate CAS Name: (2R)-2-[(6S)-6-amino-6-methyl-1,4-diazepan-1-yl]pentanedioic acid O1-tert-butyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-tert-butyl (2R)-2-[(6S)-6-amino-6-methyl-1,4-diazepan-1-yl]pentanedioate Traditional Name: (2R)-2-[(6S)-6-amino-6-methyl-1,4-diazepan-1-yl]glutaric acid O5-benzyl ester O1-tert-butyl ester Formula: C22H35N3O4 MolecularWeight: 405.531

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNCCN(C1)C(CCC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)N

Isomeric SMILES

C[C@@]1(CNCCN(C1)[C@H](CCC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C22H35N3O4/c1-21(2,3)29-20(27)18(25-13-12-24-15-22(4,23)16-25)10-11-19(26)28-14-17-8-6-5-7-9-17/h5-9,18,24H,10-16,23H2,1-4H3/t18-,22+/m1/s1