N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide (Q27221528)

CHEMBL2132787 (English)

N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide

11 October 2016

stereoisomer of

2 references

inferred from InChIKey

N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide

2 references

inferred from InChIKey

N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide

2 references

inferred from InChIKey

N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide

1 reference

N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide

1 reference

N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide

1 reference

N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide

1 reference

chemical formula

C₂₄H₃₁Cl₂N₃O₅S

1 reference

CHEMBL2132787 (English)

11 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C)OC1CN(C)CC3=CC(=C(C=C3)Cl)Cl)C(C)CO

1 reference

CHEMBL2132787 (English)

11 October 2016

isomeric SMILES

C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C)O[C@H]1CN(C)CC3=CC(=C(C=C3)Cl)Cl)[C@H](C)CO

1 reference

CHEMBL2132787 (English)

InChI=1S/C24H31Cl2N3O5S/c1-15-11-29(16(2)14-30)24(31)18-6-5-7-21(27-35(4,32)33)23(18)34-22(15)13-28(3)12-17-8-9-19(25)20(26)10-17/h5-10,15-16,22,27,30H,11-14H2,1-4H3/t15-,16+,22-/m0/s1

11 October 2016

Identifiers

InChI

1 reference

CHEMBL2132787 (English)

DFZXWWYSPBEGFY-DMPWYTOCSA-N

11 October 2016

InChIKey

2 references

CHEMBL2132787 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-{(2R,3S)-2-{[(3,4-Dichlorobenzyl)(methyl)amino]methyl}-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-10-yl}methanesulfonamide (English)

11 October 2016

1 reference

CHEMBL2132787 (English)

11 October 2016

ChEBI ID

128494

mapping relation type

1 reference

N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide (English)

11 October 2016

1 reference