N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide (Q27179931)

CHEMBL2355396 (English)

N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide

10 October 2016

stereoisomer of

2 references

inferred from InChIKey

N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide

2 references

inferred from InChIKey

N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide

1 reference

N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide

1 reference

N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide

1 reference

N-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide

1 reference

chemical formula

C₃₁H₃₄N₄O₆

1 reference

CHEMBL2355396 (English)

10 October 2016

canonical SMILES

CN1C2CCC(OC2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4OC)CC(=O)NCCC5=CC=NC=C5

1 reference

CHEMBL2355396 (English)

10 October 2016

isomeric SMILES

CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4OC)CC(=O)NCCC5=CC=NC=C5

1 reference

CHEMBL2355396 (English)

InChI=1S/C31H34N4O6/c1-35-25-9-8-22(18-29(36)33-16-13-20-11-14-32-15-12-20)41-28(25)19-40-27-10-7-21(17-24(27)31(35)38)34-30(37)23-5-3-4-6-26(23)39-2/h3-7,10-12,14-15,17,22,25,28H,8-9,13,16,18-19H2,1-2H3,(H,33,36)(H,34,37)/t22-,25-,28+/m1/s1

10 October 2016

Identifiers

InChI

1 reference

CHEMBL2355396 (English)

PQVOHAVDCPBJEV-OKEQGEBHSA-N

10 October 2016

InChIKey

2 references

CHEMBL2355396 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-Methoxy-N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-(2-oxo-2-{[2-(4-pyridinyl)ethyl]amino}ethyl)-2,3,4,4a,5,6,12,12a-octahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]benzamide (English)

10 October 2016

2 references

CHEMBL2355396 (English)

matched by identifier from

10 October 2016

InChIKey

PQVOHAVDCPBJEV-OKEQGEBHSA-N

ChEBI ID

102972

mapping relation type

2 references

N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide (English)