N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide (Q27214998)

CHEMBL2357919 (English)

N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

11 October 2016

stereoisomer of

2 references

N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

2 references

N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

1 reference

N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

2 references

N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

1 reference

N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

1 reference

N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

1 reference

chemical formula

C₂₇H₄₁N₃O₄

1 reference

CHEMBL2357919 (English)

11 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CC3)OC1CN(C)CC4CCCCC4)C(C)CO

1 reference

CHEMBL2357919 (English)

11 October 2016

isomeric SMILES

C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CC3)O[C@H]1CN(C)CC4CCCCC4)[C@@H](C)CO

1 reference

CHEMBL2357919 (English)

InChI=1S/C27H41N3O4/c1-18-14-30(19(2)17-31)27(33)23-13-22(28-26(32)21-9-10-21)11-12-24(23)34-25(18)16-29(3)15-20-7-5-4-6-8-20/h11-13,18-21,25,31H,4-10,14-17H2,1-3H3,(H,28,32)/t18-,19+,25+/m1/s1

11 October 2016

Identifiers

InChI

1 reference

CHEMBL2357919 (English)

RZKDUVXCVDUJNN-WYEJZRMESA-N

11 October 2016

InChIKey

2 references

CHEMBL2357919 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-{(2R,3R)-2-{[(Cyclohexylmethyl)(methyl)amino]methyl}-5-[(2S)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-8-yl}cyclopropanecarboxamide (English)

11 October 2016

2 references

CHEMBL2357919 (English)

matched by identifier from

11 October 2016

InChIKey

RZKDUVXCVDUJNN-WYEJZRMESA-N

ChEBI ID

124732

mapping relation type

2 references

N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide (English)