N-(2-aminophenyl)-4-[[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide (Q27167340)

CHEMBL2359798 (English)

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

10 October 2016

stereoisomer of

2 references

inferred from InChIKey

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

1 reference

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

1 reference

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

1 reference

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

1 reference

N-(2-aminophenyl)-4-[[[(2S,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide

1 reference

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

1 reference

chemical formula

C₃₃H₄₃N₅O₄

1 reference

CHEMBL2359798 (English)

10 October 2016

canonical SMILES

CC1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)OC1CN(C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)C(C)CO

1 reference

CHEMBL2359798 (English)

10 October 2016

isomeric SMILES

C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)[C@@H](C)CO

1 reference

CHEMBL2359798 (English)

InChI=1S/C33H43N5O4/c1-22-18-38(23(2)21-39)32(40)17-26-16-27(36(3)4)14-15-30(26)42-31(22)20-37(5)19-24-10-12-25(13-11-24)33(41)35-29-9-7-6-8-28(29)34/h6-16,22-23,31,39H,17-21,34H2,1-5H3,(H,35,41)/t22-,23+,31-/m1/s1

10 October 2016

Identifiers

InChI

1 reference

CHEMBL2359798 (English)

ZBLCOVKAEUNWGN-IKBQMQIHSA-N

10 October 2016

InChIKey

2 references

CHEMBL2359798 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

10 October 2016

1 reference

CHEMBL2359798 (English)

10 October 2016

ChEBI ID

95417

mapping relation type

1 reference

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

10 October 2016

1 reference