N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide (Q27194790)

CHEMBL2141519 (English)

N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide

11 October 2016

stereoisomer of

2 references

inferred from InChIKey

N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide

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-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide

2 references

inferred from InChIKey

N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide

1 reference

N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide

1 reference

N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide

1 reference

chemical formula

C₂₈H₃₅Cl₂N₅O₅S

1 reference

CHEMBL2141519 (English)

11 October 2016

canonical SMILES

CC1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)OC1CN(C)CC4=CC(=C(C=C4)Cl)Cl)C(C)CO

1 reference

CHEMBL2141519 (English)

11 October 2016

isomeric SMILES

C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)O[C@@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@H](C)CO

1 reference

CHEMBL2141519 (English)

InChI=1S/C28H35Cl2N5O5S/c1-18-12-35(19(2)16-36)28(37)11-21-10-22(32-41(38,39)27-15-34(4)17-31-27)6-8-25(21)40-26(18)14-33(3)13-20-5-7-23(29)24(30)9-20/h5-10,15,17-19,26,32,36H,11-14,16H2,1-4H3/t18-,19+,26+/m0/s1

11 October 2016

Identifiers

InChI

1 reference

CHEMBL2141519 (English)

VWQPHETXZDMYNJ-GNBJCERTSA-N

11 October 2016

InChIKey

2 references

CHEMBL2141519 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-{(2S,3S)-2-{[(3,4-Dichlorobenzyl)(methyl)amino]methyl}-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-9-yl}-1-methyl-1H-imidazole-4-sulfonamide (English)

11 October 2016

1 reference

CHEMBL2141519 (English)

11 October 2016

ChEBI ID

113839

mapping relation type

1 reference

N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide (English)

11 October 2016

1 reference