CHEBI:106978 - 4-(dimethylamino)-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)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-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
ChEBI ID CHEBI:106978
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H54N4O5
Net Charge 0
Average Mass 562.785
Monoisotopic Mass 562.40942
InChI InChI=1S/C31H54N4O5/c1-8-16-34(7)21-29-23(2)20-35(24(3)22-36)31(38)27-19-26(32-30(37)13-11-17-33(5)6)14-15-28(27)40-25(4)12-9-10-18-39-29/h14-15,19,23-25,29,36H,8-13,16-18,20-22H2,1-7H3,(H,32,37)/t23-,24+,25-,29-/m1/s1
InChIKey NSUWFWDPIIGHAU-MNGFJMBLSA-N
SMILES CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C
ChEBI Ontology
Outgoing 4-(dimethylamino)-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:106978) is a azamacrocycle (CHEBI:52898)
4-(dimethylamino)-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:106978) is a lactam (CHEBI:24995)
Manual Xref Database
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