CHEBI:130963 - N-[(3S,9S,10S)-12-[(2R)-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]-4-pyridinecarboxamide

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ChEBI Name N-[(3S,9S,10S)-12-[(2R)-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]-4-pyridinecarboxamide
ChEBI ID CHEBI:130963
Stars This entity has been manually annotated by a third party.
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Formula C29H42N4O7S
Net Charge 0
Average Mass 590.734
Monoisotopic Mass 590.27742
InChI InChI=1S/C29H42N4O7S/c1-20-17-33(21(2)19-34)29(36)25-16-24(31-28(35)23-11-13-30-14-12-23)9-10-26(25)40-22(3)8-6-7-15-39-27(20)18-32(4)41(5,37)38/h9-14,16,20-22,27,34H,6-8,15,17-19H2,1-5H3,(H,31,35)/t20-,21+,22-,27+/m0/s1
InChIKey RGRLROMATPOZOC-JLFWUPFSSA-N
SMILES C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)S(=O)(=O)C
ChEBI Ontology
Outgoing N-[(3S,9S,10S)-12-[(2R)-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]-4-pyridinecarboxamide (CHEBI:130963) is a azamacrocycle (CHEBI:52898)
N-[(3S,9S,10S)-12-[(2R)-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]-4-pyridinecarboxamide (CHEBI:130963) is a lactam (CHEBI:24995)
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