N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide (Q27187573)

BRD-K11105500-001-01-2 (English)

N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide

10 October 2016

stereoisomer of

2 references

inferred from InChIKey

N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide

2 references

inferred from InChIKey

N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide

1 reference

N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide

1 reference

N-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide

1 reference

N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide

1 reference

chemical formula

C₂₂H₃₅N₃O₅S

1 reference

BRD-K11105500-001-01-2 (English)

10 October 2016

canonical SMILES

CC1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C)OC1CN(C)CC3CC3)C(C)CO

1 reference

BRD-K11105500-001-01-2 (English)

10 October 2016

isomeric SMILES

C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C)O[C@H]1CN(C)CC3CC3)[C@H](C)CO

1 reference

BRD-K11105500-001-01-2 (English)

InChI=1S/C22H35N3O5S/c1-15-11-25(16(2)14-26)22(27)10-18-9-19(23-31(4,28)29)7-8-20(18)30-21(15)13-24(3)12-17-5-6-17/h7-9,15-17,21,23,26H,5-6,10-14H2,1-4H3/t15-,16-,21+/m1/s1

10 October 2016

Identifiers

InChI

1 reference

BRD-K11105500-001-01-2 (English)

LKTOUOMEFKMKTF-ZOCZFRKYSA-N

10 October 2016

InChIKey

2 references

BRD-K11105500-001-01-2 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K11105500-001-01-2 (English)

matched by identifier from

10 October 2016

InChIKey

LKTOUOMEFKMKTF-ZOCZFRKYSA-N

ChEBI ID

108639

mapping relation type

2 references

N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide (English)