CHEBI:106731 - 4-(dimethylamino)-N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-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,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
ChEBI ID CHEBI:106731
Stars This entity has been manually annotated by a third party.
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Formula C28H48N4O5
Net Charge 0
Average Mass 520.706
Monoisotopic Mass 520.36247
InChI InChI=1S/C28H48N4O5/c1-20-18-32(21(2)19-33)28(35)24-16-23(30-27(34)11-9-14-31(5)6)12-13-25(24)37-22(3)10-7-8-15-36-26(20)17-29-4/h12-13,16,20-22,26,29,33H,7-11,14-15,17-19H2,1-6H3,(H,30,34)/t20-,21+,22-,26+/m1/s1
InChIKey SBFFLWUBRLNFSF-SRCYTUNASA-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)CNC
ChEBI Ontology
Outgoing 4-(dimethylamino)-N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:106731) is a azamacrocycle (CHEBI:52898)
4-(dimethylamino)-N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:106731) is a lactam (CHEBI:24995)
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