CHEBI:104661 - N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide
ChEBI ID CHEBI:104661
Stars This entity has been manually annotated by a third party.
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Formula C31H45N3O7S
Net Charge 0
Average Mass 603.772
Monoisotopic Mass 603.29782
InChI InChI=1S/C31H45N3O7S/c1-22-19-34(23(2)21-35)31(37)27-18-26(32-42(5,38)39)14-15-28(27)41-24(3)11-9-10-16-40-29(22)20-33(4)30(36)17-25-12-7-6-8-13-25/h6-8,12-15,18,22-24,29,32,35H,9-11,16-17,19-21H2,1-5H3/t22-,23-,24+,29+/m0/s1
InChIKey VOOFHSDUWYITSP-PHBCIFJZSA-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)C(=O)CC3=CC=CC=C3
ChEBI Ontology
Outgoing N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:104661) is a azamacrocycle (CHEBI:52898)
N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:104661) is a lactam (CHEBI:24995)
Manual Xref Database
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