(Q27163348)

Prestwick3_000684 (English)

9 October 2016

chemical formula

C₁₆H₂₇NO₅

1 reference

Prestwick3_000684 (English)

9 October 2016

canonical SMILES

CC(C)C(C(C)OC)(C(=O)OCC1=CCN2C1C(CC2)O)O

1 reference

Prestwick3_000684 (English)

9 October 2016

isomeric SMILES

C[C@H](C(C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O)O)OC

1 reference

Prestwick3_000684 (English)

InChI=1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11-,13+,14-,16?/m1/s1

9 October 2016

Identifiers

InChI

1 reference

Prestwick3_000684 (English)

LMFKRLGHEKVMNT-GVCFFYALSA-N

9 October 2016

InChIKey

2 references

Prestwick3_000684 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

[(1S,7aR)-1-Hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (3R)-2-hydroxy-2-isopropyl-3-methoxybutanoate (English)

9 October 2016

2 references

Prestwick3_000684 (English)

matched by identifier from

9 October 2016

InChIKey

LMFKRLGHEKVMNT-GVCFFYALSA-N

ChEBI ID

91511

mapping relation type

2 references

2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoic acid [(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester (English)