CHEBI:107004 - 1-cyclohexyl-3-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea

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ChEBI Name 1-cyclohexyl-3-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
ChEBI ID CHEBI:107004
Stars This entity has been manually annotated by a third party.
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Formula C35H53N5O5
Net Charge 0
Average Mass 623.827
Monoisotopic Mass 623.40467
InChI InChI=1S/C35H53N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h13-18,20,25-27,29,33,41H,5-12,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27+,33+/m0/s1
InChIKey NGSMHOKAGHIENU-SQQWPVGBSA-N
SMILES C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4
ChEBI Ontology
Outgoing 1-cyclohexyl-3-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:107004) is a azamacrocycle (CHEBI:52898)
1-cyclohexyl-3-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:107004) is a lactam (CHEBI:24995)
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