N-(2-aminophenyl)-4-[[[(2S,3S)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide (Q27222044)

BRD-K60067222-001-01-1 (English)

N-(2-aminophenyl)-4-[[[(2S,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

11 October 2016

stereoisomer of

2 references

inferred from InChIKey

N-(2-aminophenyl)-4-[[[(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

2 references

inferred from InChIKey

N-(2-aminophenyl)-4-[[[(2S,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

2 references

inferred from InChIKey

N-(2-aminophenyl)-4-[[[(2R,3S)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

1 reference

N-(2-aminophenyl)-4-[[[(2R,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

1 reference

N-(2-aminophenyl)-4-[[[(2R,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

1 reference

N-(2-aminophenyl)-4-[[[(2R,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

1 reference

chemical formula

C₃₂H₄₁N₅O₄

1 reference

BRD-K60067222-001-01-1 (English)

11 October 2016

canonical SMILES

CC1CN(C(=O)C2=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

BRD-K60067222-001-01-1 (English)

11 October 2016

isomeric SMILES

C[C@H]1CN(C(=O)C2=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

BRD-K60067222-001-01-1 (English)

InChI=1S/C32H41N5O4/c1-21-17-37(22(2)20-38)32(40)26-16-25(35(3)4)14-15-29(26)41-30(21)19-36(5)18-23-10-12-24(13-11-23)31(39)34-28-9-7-6-8-27(28)33/h6-16,21-22,30,38H,17-20,33H2,1-5H3,(H,34,39)/t21-,22+,30+/m0/s1

11 October 2016

Identifiers

InChI

1 reference

BRD-K60067222-001-01-1 (English)

QVMJLFZOFFUGMH-IABYTQIASA-N

11 October 2016

InChIKey

2 references

BRD-K60067222-001-01-1 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K60067222-001-01-1 (English)

matched by identifier from

11 October 2016

InChIKey

QVMJLFZOFFUGMH-IABYTQIASA-N

ChEBI ID

129004

mapping relation type

2 references

N-(2-aminophenyl)-4-[[[(2S,3S)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide (English)