(Q27166683)

English

N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

594.28422±0 dalton

1 reference

language of work or name

CHEMBL3109370 (English)

9 October 2016

stereoisomer of

N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

1 reference

based on heuristic

inferred from InChI

N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

1 reference

based on heuristic

inferred from InChI

N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

1 reference

based on heuristic

inferred from InChI

N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

1 reference

based on heuristic

inferred from InChI

N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₃₈N₄O₅

1 reference

language of work or name

CHEMBL3109370 (English)

9 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=NC=C3)OC1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(C)CO

1 reference

language of work or name

CHEMBL3109370 (English)

9 October 2016

isomeric SMILES

C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=NC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)[C@@H](C)CO

1 reference

language of work or name

CHEMBL3109370 (English)

9 October 2016

Identifiers

InChI=1S/C35H38N4O5/c1-24-20-39(25(2)23-40)35(42)30-10-7-11-31(37-34(41)27-16-18-36-19-17-27)33(30)44-32(24)22-38(3)21-26-12-14-29(15-13-26)43-28-8-5-4-6-9-28/h4-19,24-25,32,40H,20-23H2,1-3H3,(H,37,41)/t24-,25+,32+/m1/s1

1 reference

language of work or name

CHEMBL3109370 (English)

9 October 2016

ACSVFUACEODJDN-NPPPIGHJSA-N

2 references

language of work or name

CHEMBL3109370 (English)

9 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

N-[(2R,3R)-5-[(2S)-1-Hydroxy-2-propanyl]-3-methyl-2-{[methyl(4-phenoxybenzyl)amino]methyl}-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-10-yl]isonicotinamide (English)

9 October 2016

2 references

language of work or name

CHEMBL3109370 (English)

9 October 2016

matched by identifier from

ACSVFUACEODJDN-NPPPIGHJSA-N

mapping relation type

2 references

language of work or name

N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide (English)

9 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C35H38N4O5/c1-24-20-39(25(2)23-40)35(42)30-10-7-11-31(37-34(41)27-16-18-36-19-17-27)33(30)44-32(24)22-38(3)21-26-12-14-29(15-13-26)43-28-8-5-4-6-9-28/h4-19,24-25,32,40H,20-23H2,1-3H3,(H,37,41)/t24-,25+,32+/m1/s1

1 reference

language of work or name

CHEMBL3109370 (English)

9 October 2016

UniChem compound ID

1 reference

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