CHEBI:127294 - 1-[(3R,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea

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ChEBI Name 1-[(3R,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
ChEBI ID CHEBI:127294
Stars This entity has been manually annotated by a third party.
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Formula C32H49N5O6
Net Charge 0
Average Mass 599.763
Monoisotopic Mass 599.36828
InChI InChI=1S/C32H49N5O6/c1-20-16-37(21(2)19-38)31(39)27-15-26(33-32(40)34-30-23(4)35-43-24(30)5)12-13-28(27)42-22(3)9-7-8-14-41-29(20)18-36(6)17-25-10-11-25/h12-13,15,20-22,25,29,38H,7-11,14,16-19H2,1-6H3,(H2,33,34,40)/t20-,21+,22+,29+/m0/s1
InChIKey JVILTGOVTWEXFK-PVGLJACCSA-N
SMILES C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@H](C)CO)C)CN(C)CC4CC4
ChEBI Ontology
Outgoing 1-[(3R,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea (CHEBI:127294) is a azamacrocycle (CHEBI:52898)
1-[(3R,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea (CHEBI:127294) is a lactam (CHEBI:24995)
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Last Modified
03 March 2016