4-chloro-N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]benzenesulfonamide (Q27191478)

CHEMBL2134381 (English)

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

10 October 2016

stereoisomer of

2 references

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

2 references

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

2 references

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

2 references

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

1 reference

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

1 reference

chemical formula

C₃₀H₄₂ClN₃O₅S

1 reference

CHEMBL2134381 (English)

10 October 2016

canonical SMILES

CC1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)OC1CN(C)CC4CCCCC4)C(C)CO

1 reference

CHEMBL2134381 (English)

10 October 2016

isomeric SMILES

C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)O[C@H]1CN(C)CC4CCCCC4)[C@@H](C)CO

1 reference

CHEMBL2134381 (English)

InChI=1S/C30H42ClN3O5S/c1-21-17-34(22(2)20-35)30(36)16-24-15-26(32-40(37,38)27-12-9-25(31)10-13-27)11-14-28(24)39-29(21)19-33(3)18-23-7-5-4-6-8-23/h9-15,21-23,29,32,35H,4-8,16-20H2,1-3H3/t21-,22-,29-/m0/s1

10 October 2016

Identifiers

InChI

1 reference

CHEMBL2134381 (English)

YELAEPJECDEDIZ-SYZUXVNWSA-N

10 October 2016

InChIKey

2 references

CHEMBL2134381 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

10 October 2016

1 reference

CHEMBL2134381 (English)

10 October 2016

ChEBI ID

111780

mapping relation type

1 reference

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

10 October 2016

1 reference