2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide (Q27171677)

BRD-K37991633-001-01-5 (English)

2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide

10 October 2016

stereoisomer of

2 references

2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide

1 reference

2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide

1 reference

2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide

2 references

2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide

1 reference

2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide

1 reference

2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide

1 reference

chemical formula

C₁₉H₂₆N₂O₆S

1 reference

BRD-K37991633-001-01-5 (English)

10 October 2016

canonical SMILES

CS(=O)(=O)NC1=CC2=C(C=C1)OC3C2CC(OC3CO)CC(=O)NCC4CC4

1 reference

BRD-K37991633-001-01-5 (English)

10 October 2016

isomeric SMILES

CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4CC4

1 reference

BRD-K37991633-001-01-5 (English)

InChI=1S/C19H26N2O6S/c1-28(24,25)21-12-4-5-16-14(6-12)15-7-13(26-17(10-22)19(15)27-16)8-18(23)20-9-11-2-3-11/h4-6,11,13,15,17,19,21-22H,2-3,7-10H2,1H3,(H,20,23)/t13-,15-,17-,19+/m1/s1

10 October 2016

Identifiers

InChI

1 reference

BRD-K37991633-001-01-5 (English)

YSCGDHRCRJHNHR-VWMOJTHMSA-N

10 October 2016

InChIKey

2 references

BRD-K37991633-001-01-5 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K37991633-001-01-5 (English)

10 October 2016

ChEBI ID

99350

mapping relation type

2 references

2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide (English)