(2S,3R)-2-oxidanyl-3-(phenylmethoxycarbonylamino)octanoic acid

Systemtic Name: (2S,3R)-2-oxidanyl-3-(phenylmethoxycarbonylamino)octanoic acid Openeye Name: (2S,3R)-3-(benzyloxycarbonylamino)-2-hydroxy-octanoic acid CAS Name: (2S,3R)-2-hydroxy-3-(phenylmethoxycarbonylamino)octanoic acid IUPAC Name: (2S,3R)-2-hydroxy-3-(phenylmethoxycarbonylamino)octanoic acid Traditional Name: (2S,3R)-3-(benzyloxycarbonylamino)-2-hydroxy-caprylic acid Formula: C16H23NO5 MolecularWeight: 309.35752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(=O)O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO5/c1-2-3-5-10-13(14(18)15(19)20)17-16(21)22-11-12-8-6-4-7-9-12/h4,6-9,13-14,18H,2-3,5,10-11H2,1H3,(H,17,21)(H,19,20)/t13-,14+/m1/s1