propan-2-yl (E,2R,3R)-2-azanyl-3-oxidanyl-octadec-4-enoate

Systemtic Name: propan-2-yl (E,2R,3R)-2-azanyl-3-oxidanyl-octadec-4-enoate Openeye Name: isopropyl (E,2R,3R)-2-amino-3-hydroxy-octadec-4-enoate CAS Name: (E,2R,3R)-2-amino-3-hydroxy-4-octadecenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E,2R,3R)-2-amino-3-hydroxyoctadec-4-enoate Traditional Name: (E,2R,3R)-2-amino-3-hydroxy-octadec-4-enoic acid isopropyl ester Formula: C21H41NO3 MolecularWeight: 355.55514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(C(=O)OC(C)C)N)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](C(=O)OC(C)C)N)O

InChI

InChI=1S/C21H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(23)20(22)21(24)25-18(2)3/h16-20,23H,4-15,22H2,1-3H3/b17-16+/t19-,20-/m1/s1