tert-butyl (E,2R,5S)-6-oxidanyl-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)hex-3-enoate

Systemtic Name: tert-butyl (E,2R,5S)-6-oxidanyl-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)hex-3-enoate Openeye Name: tert-butyl (E,2R,5S)-2-benzyl-5-(benzyloxycarbonylamino)-6-hydroxy-hex-3-enoate CAS Name: (E,2R,5S)-6-hydroxy-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)-3-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,2R,5S)-2-benzyl-6-hydroxy-5-(phenylmethoxycarbonylamino)hex-3-enoate Traditional Name: (E,2R,5S)-2-benzyl-5-(benzyloxycarbonylamino)-6-hydroxy-hex-3-enoic acid tert-butyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)C=CC(CO)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)/C=C/[C@@H](CO)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H31NO5/c1-25(2,3)31-23(28)21(16-19-10-6-4-7-11-19)14-15-22(17-27)26-24(29)30-18-20-12-8-5-9-13-20/h4-15,21-22,27H,16-18H2,1-3H3,(H,26,29)/b15-14+/t21-,22-/m0/s1