N-[(3S,9R,10S)-9-[[cyclohexylmethyl(methyl)amino]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 (Q27220721)

CHEMBL2356468 (English)

11 October 2016

chemical formula

C₃₆H₅₉N₃O₅

1 reference

CHEMBL2356468 (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)CC4CCCCC4

1 reference

CHEMBL2356468 (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)CC4CCCCC4

1 reference

CHEMBL2356468 (English)

InChI=1S/C36H59N3O5/c1-26-22-39(27(2)25-40)36(42)32-21-31(37-35(41)30-16-9-6-10-17-30)18-19-33(32)44-28(3)13-11-12-20-43-34(26)24-38(4)23-29-14-7-5-8-15-29/h18-19,21,26-30,34,40H,5-17,20,22-25H2,1-4H3,(H,37,41)/t26-,27-,28-,34-/m0/s1

11 October 2016

Identifiers

InChI

1 reference

CHEMBL2356468 (English)

NILCQTKEVAIMRT-NWWIOOOSSA-N

11 October 2016

InChIKey

2 references

CHEMBL2356468 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-{(2S,8R,9S)-8-{[(Cyclohexylmethyl)(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}cyclohexanecarb (English)

11 October 2016

1 reference

CHEMBL2356468 (English)

11 October 2016

ChEBI ID

127996

mapping relation type

1 reference

N-[(3S,9R,10S)-9-[[cyclohexylmethyl(methyl)amino]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)

11 October 2016

1 reference