CHEBI:104664 - 4-(dimethylamino)-N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 4-(dimethylamino)-N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide ChEBI ID CHEBI:104664 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C34H53N5O5 Net Charge 0 Average Mass 611.816 Monoisotopic Mass 611.40467 InChI InChI=1S/C34H53N5O5/c1-25-21-39(26(2)24-40)34(42)30-20-29(36-33(41)11-9-18-37(4)5)12-13-31(30)44-27(3)10-7-8-19-43-32(25)23-38(6)22-28-14-16-35-17-15-28/h12-17,20,25-27,32,40H,7-11,18-19,21-24H2,1-6H3,(H,36,41)/t25-,26-,27-,32-/m1/s1 InChIKey ZCLFEQBFHRMJFK-YDCVZUCISA-N SMILES C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3 ChEBI Ontology Outgoing 4-(dimethylamino)-N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:104664) is a azamacrocycle (CHEBI:52898) 4-(dimethylamino)-N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:104664) is a lactam (CHEBI:24995) Manual Xref Database LSM-16027 LINCS View more database links Last Modified 03 March 2016