methyl (4S,5S)-6-methyl-2-methylidene-4-oxidanyl-5-(phenylmethoxycarbonylamino)octanoate

Systemtic Name: methyl (4S,5S)-6-methyl-2-methylidene-4-oxidanyl-5-(phenylmethoxycarbonylamino)octanoate Openeye Name: methyl (4S,5S)-5-(benzyloxycarbonylamino)-4-hydroxy-6-methyl-2-methylene-octanoate CAS Name: (4S,5S)-4-hydroxy-6-methyl-2-methylene-5-(phenylmethoxycarbonylamino)octanoic acid methyl ester IUPAC Name: methyl (4S,5S)-4-hydroxy-6-methyl-2-methylidene-5-(phenylmethoxycarbonylamino)octanoate Traditional Name: 2-[(2S,3S)-3-(benzyloxycarbonylamino)-2-hydroxy-4-methyl-hexyl]acrylic acid methyl ester Formula: C19H27NO5 MolecularWeight: 349.42138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO5/c1-5-13(2)17(16(21)11-14(3)18(22)24-4)20-19(23)25-12-15-9-7-6-8-10-15/h6-10,13,16-17,21H,3,5,11-12H2,1-2,4H3,(H,20,23)/t13?,16-,17-/m0/s1