CHEBI:106837 - N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
ChEBI ID CHEBI:106837
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H45N3O6S
Net Charge 0
Average Mass 575.762
Monoisotopic Mass 575.30291
InChI InChI=1S/C30H45N3O6S/c1-22-18-33(23(2)21-34)30(35)27-17-26(31-40(5,36)37)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-32(4)19-25-12-7-6-8-13-25/h6-8,12-15,17,22-24,29,31,34H,9-11,16,18-21H2,1-5H3/t22-,23-,24+,29+/m1/s1
InChIKey OJAAEAMCTGSNOQ-CHCBTGSZSA-N
SMILES C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3
ChEBI Ontology
Outgoing N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide (CHEBI:106837) is a azamacrocycle (CHEBI:52898)
N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide (CHEBI:106837) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-18192 LINCS
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