methyl (E,12S,13S)-12-oxidanyl-9-oxidanylidene-13-(phenylmethoxycarbonylamino)tetradec-10-enoate

Systemtic Name: methyl (E,12S,13S)-12-oxidanyl-9-oxidanylidene-13-(phenylmethoxycarbonylamino)tetradec-10-enoate Openeye Name: methyl (E,12S,13S)-13-(benzyloxycarbonylamino)-12-hydroxy-9-oxo-tetradec-10-enoate CAS Name: (E,12S,13S)-12-hydroxy-9-oxo-13-(phenylmethoxycarbonylamino)-10-tetradecenoic acid methyl ester IUPAC Name: methyl (E,12S,13S)-12-hydroxy-9-oxo-13-(phenylmethoxycarbonylamino)tetradec-10-enoate Traditional Name: (E,12S,13S)-13-(benzyloxycarbonylamino)-12-hydroxy-9-keto-tetradec-10-enoic acid methyl ester Formula: C23H33NO6 MolecularWeight: 419.51122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO6/c1-18(24-23(28)30-17-19-11-7-6-8-12-19)21(26)16-15-20(25)13-9-4-3-5-10-14-22(27)29-2/h6-8,11-12,15-16,18,21,26H,3-5,9-10,13-14,17H2,1-2H3,(H,24,28)/b16-15+/t18-,21-/m0/s1