O1-tert-butyl O7-methyl (4S)-3-oxidanylidene-4-(phenylmethoxycarbonylamino)heptanedioate

Systemtic Name: O1-tert-butyl O7-methyl (4S)-3-oxidanylidene-4-(phenylmethoxycarbonylamino)heptanedioate Openeye Name: O1-tert-butyl O7-methyl (4S)-4-(benzyloxycarbonylamino)-3-oxo-heptanedioate CAS Name: (4S)-3-oxo-4-(phenylmethoxycarbonylamino)heptanedioic acid O1-tert-butyl ester O7-methyl ester IUPAC Name: 1-O-tert-butyl 7-O-methyl (4S)-3-oxo-4-(phenylmethoxycarbonylamino)heptanedioate Traditional Name: (4S)-4-(benzyloxycarbonylamino)-3-keto-pimelic acid O1-tert-butyl ester O7-methyl ester Formula: C20H27NO7 MolecularWeight: 393.43088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO7/c1-20(2,3)28-18(24)12-16(22)15(10-11-17(23)26-4)21-19(25)27-13-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3,(H,21,25)/t15-/m0/s1