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CHEBI:117601 - 1-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-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-propan-2-ylurea

ChEBI IDCHEBI:117601
ChEBI Name1-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-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-propan-2-ylurea
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DownloadsMolfile
FormulaC30H50N4O5
Net Charge0
Average Mass546.753
Monoisotopic Mass546.37812
SMILESCC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)CC1CC1)OCCCC[C@@H](C)O2
InChIInChI=1S/C30H50N4O5/c1-20(2)31-30(37)32-25-12-13-27-26(15-25)29(36)34(22(4)19-35)16-21(3)28(18-33(6)17-24-10-11-24)38-14-8-7-9-23(5)39-27/h12-13,15,20-24,28,35H,7-11,14,16-19H2,1-6H3,(H2,31,32,37)/t21-,22+,23-,28+/m1/s1
InChIKeyNMRMJZSCUHLPQY-KRHPZPPWSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-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-propan-2-ylurea (CHEBI:117601) is a azamacrocycle (CHEBI:52898)
1-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-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-propan-2-ylurea (CHEBI:117601) is a lactam (CHEBI:24995)
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