CHEBI:103400 - 1-[[(3S,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-propan-2-ylurea

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ChEBI Name 1-[[(3S,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-propan-2-ylurea
ChEBI ID CHEBI:103400
Stars This entity has been manually annotated by a third party.
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Formula C28H48N4O5
Net Charge 0
Average Mass 520.706
Monoisotopic Mass 520.36247
InChI InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21+,22+,26-/m1/s1
InChIKey KNZOATPLJIEOET-FYBXHKAZSA-N
SMILES C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C
ChEBI Ontology
Outgoing 1-[[(3S,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:103400) is a azamacrocycle (CHEBI:52898)
1-[[(3S,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:103400) is a lactam (CHEBI:24995)
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