N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide (Q27166694)

CHEMBL2135537 (English)

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

9 October 2016

stereoisomer of

2 references

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

2 references

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

2 references

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

2 references

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

2 references

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

1 reference

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

1 reference

chemical formula

C₂₉H₃₄N₄O₄

1 reference

CHEMBL2135537 (English)

9 October 2016

canonical SMILES

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

1 reference

CHEMBL2135537 (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=CC=C4)[C@H](C)CO

1 reference

CHEMBL2135537 (English)

InChI=1S/C29H34N4O4/c1-20-16-33(21(2)19-34)29(36)24-10-7-11-25(31-28(35)23-12-14-30-15-13-23)27(24)37-26(20)18-32(3)17-22-8-5-4-6-9-22/h4-15,20-21,26,34H,16-19H2,1-3H3,(H,31,35)/t20-,21-,26+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

CHEMBL2135537 (English)

GQBJBCNAEKUCKM-YPCDYVTLSA-N

9 October 2016

InChIKey

2 references

CHEMBL2135537 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

9 October 2016

2 references

CHEMBL2135537 (English)

matched by identifier from

9 October 2016

InChIKey

GQBJBCNAEKUCKM-YPCDYVTLSA-N

ChEBI ID

94930

mapping relation type

2 references

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