(Q27214888)

English

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

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

453.23±0 dalton

1 reference

language of work or name

BRD-K70276322-001-01-5 (English)

11 October 2016

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

based on heuristic

inferred from InChI

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

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

based on heuristic

inferred from InChI

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

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₅N₃O₅S

1 reference

language of work or name

BRD-K70276322-001-01-5 (English)

11 October 2016

canonical SMILES

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

1 reference

language of work or name

BRD-K70276322-001-01-5 (English)

11 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

language of work or name

BRD-K70276322-001-01-5 (English)

11 October 2016

Identifiers

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-/m0/s1

1 reference

language of work or name

BRD-K70276322-001-01-5 (English)

11 October 2016

LKTOUOMEFKMKTF-QYWGDWMGSA-N

2 references

language of work or name

BRD-K70276322-001-01-5 (English)

11 October 2016

ChEBI release 2020-09-01

2 references

language of work or name

BRD-K70276322-001-01-5 (English)

11 October 2016

matched by identifier from

LKTOUOMEFKMKTF-QYWGDWMGSA-N

mapping relation type

2 references

language of work or name

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 (English)

11 October 2016

matched by identifier from

International Chemical Identifier

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-/m0/s1

UniChem compound ID

1 reference

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