(E)-7-methyl-4-oxidanyl-2-(3-oxidanylpropyl)-5-(phenylmethoxycarbonylamino)oct-2-enoic acid

Systemtic Name: (E)-7-methyl-4-oxidanyl-2-(3-oxidanylpropyl)-5-(phenylmethoxycarbonylamino)oct-2-enoic acid Openeye Name: (E)-5-(benzyloxycarbonylamino)-4-hydroxy-2-(3-hydroxypropyl)-7-methyl-oct-2-enoic acid CAS Name: (E)-4-hydroxy-2-(3-hydroxypropyl)-7-methyl-5-(phenylmethoxycarbonylamino)-2-octenoic acid IUPAC Name: (E)-4-hydroxy-2-(3-hydroxypropyl)-7-methyl-5-(phenylmethoxycarbonylamino)oct-2-enoic acid Traditional Name: (E)-5-(benzyloxycarbonylamino)-4-hydroxy-2-(3-hydroxypropyl)-7-methyl-oct-2-enoic acid Formula: C20H29NO6 MolecularWeight: 379.44736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC(C(/C=C(\CCCO)/C(=O)O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H29NO6/c1-14(2)11-17(18(23)12-16(19(24)25)9-6-10-22)21-20(26)27-13-15-7-4-3-5-8-15/h3-5,7-8,12,14,17-18,22-23H,6,9-11,13H2,1-2H3,(H,21,26)(H,24,25)/b16-12+