CHEBI:104734 - N-[[(3S,9S,10R)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide

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ChEBI Name N-[[(3S,9S,10R)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
ChEBI ID CHEBI:104734
Stars This entity has been manually annotated by a third party.
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Formula C35H52N4O6
Net Charge 0
Average Mass 624.812
Monoisotopic Mass 624.38869
InChI InChI=1S/C35H52N4O6/c1-25-22-39(26(2)24-40)35(43)30-21-29(36-33(41)16-12-19-37(4)5)17-18-31(30)45-27(3)13-10-11-20-44-32(25)23-38(6)34(42)28-14-8-7-9-15-28/h7-9,14-15,17-18,21,25-27,32,40H,10-13,16,19-20,22-24H2,1-6H3,(H,36,41)/t25-,26-,27+,32-/m1/s1
InChIKey SDZYTDXKXKHZJE-BESNRVDSSA-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)CN(C)C(=O)C3=CC=CC=C3
ChEBI Ontology
Outgoing N-[[(3S,9S,10R)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide (CHEBI:104734) is a azamacrocycle (CHEBI:52898)
N-[[(3S,9S,10R)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide (CHEBI:104734) is a lactam (CHEBI:24995)
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