N-[(3R,9S,10R)-9-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (Q27217911)

CHEMBL2354474 (English)

11 October 2016

chemical formula

C₃₆H₅₈N₄O₆

1 reference

CHEMBL2354474 (English)

11 October 2016

canonical SMILES

CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)C(C)CO)C)CN(C)C(=O)NC4CCCCC4

1 reference

CHEMBL2354474 (English)

11 October 2016

isomeric SMILES

C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC4CCCCC4

1 reference

CHEMBL2354474 (English)

InChI=1S/C36H58N4O6/c1-25-22-40(26(2)24-41)35(43)31-21-30(37-34(42)28-14-7-5-8-15-28)18-19-32(31)46-27(3)13-11-12-20-45-33(25)23-39(4)36(44)38-29-16-9-6-10-17-29/h18-19,21,25-29,33,41H,5-17,20,22-24H2,1-4H3,(H,37,42)(H,38,44)/t25-,26+,27-,33-/m1/s1

11 October 2016

Identifiers

InChI

1 reference

CHEMBL2354474 (English)

PJJFGNJDCNNRAD-GLPSKGHJSA-N

11 October 2016

InChIKey

2 references

CHEMBL2354474 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-{(2R,8S,9R)-8-{[(Cyclohexylcarbamoyl)(methyl)amino]methyl}-11-[(2S)-1-hydroxy-2-propanyl]-2,9-dimethyl-12-oxo-3,4,5,6,9,10,11,12-octahydro-2H,8H-1,7,11-benzodioxazacyclotetradecin-14-yl}cyclohexanec (English)

11 October 2016

2 references

CHEMBL2354474 (English)

matched by identifier from

11 October 2016

InChIKey

PJJFGNJDCNNRAD-GLPSKGHJSA-N

ChEBI ID

126307

mapping relation type

2 references

N-[(3R,9S,10R)-9-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (English)