O1-tert-butyl O7-ethyl (2S)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)heptanedioate

Systemtic Name: O1-tert-butyl O7-ethyl (2S)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)heptanedioate Openeye Name: O1-tert-butyl O7-ethyl (2S)-2-(benzyloxycarbonylamino)-5-oxo-heptanedioate CAS Name: (2S)-5-oxo-2-(phenylmethoxycarbonylamino)heptanedioic acid O1-tert-butyl ester O7-ethyl ester IUPAC Name: 1-O-tert-butyl 7-O-ethyl (2S)-5-oxo-2-(phenylmethoxycarbonylamino)heptanedioate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-keto-pimelic acid O1-tert-butyl ester O7-ethyl ester Formula: C21H29NO7 MolecularWeight: 407.45746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO7/c1-5-27-18(24)13-16(23)11-12-17(19(25)29-21(2,3)4)22-20(26)28-14-15-9-7-6-8-10-15/h6-10,17H,5,11-14H2,1-4H3,(H,22,26)/t17-/m0/s1