CHEBI:104606 - N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide

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ChEBI Name N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
ChEBI ID CHEBI:104606
Stars This entity has been manually annotated by a third party.
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Formula C30H43N3O7S
Net Charge 0
Average Mass 589.746
Monoisotopic Mass 589.28217
InChI InChI=1S/C30H43N3O7S/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-29(35)24-12-7-6-8-13-24)14-15-27(26)40-23(3)11-9-10-16-39-28(21)19-32(4)41(5,37)38/h6-8,12-15,17,21-23,28,34H,9-11,16,18-20H2,1-5H3,(H,31,35)/t21-,22-,23+,28+/m0/s1
InChIKey XHZKQAVNDGMQPU-HIAVRWOZSA-N
SMILES C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)S(=O)(=O)C
ChEBI Ontology
Outgoing N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide (CHEBI:104606) is a azamacrocycle (CHEBI:52898)
N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide (CHEBI:104606) is a lactam (CHEBI:24995)
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