CHEBI:104643 - 1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)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-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
ChEBI ID CHEBI:104643
Stars This entity has been manually annotated by a third party.
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Formula C33H48N4O7
Net Charge 0
Average Mass 612.758
Monoisotopic Mass 612.35230
InChI InChI=1S/C33H48N4O7/c1-6-14-36(5)19-31-22(2)18-37(23(3)20-38)32(39)27-16-25(10-12-28(27)44-24(4)9-7-8-15-41-31)34-33(40)35-26-11-13-29-30(17-26)43-21-42-29/h10-13,16-17,22-24,31,38H,6-9,14-15,18-21H2,1-5H3,(H2,34,35,40)/t22-,23-,24-,31+/m0/s1
InChIKey XLNHBFSEXGTYPK-ILSPQUDCSA-N
SMILES CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)O[C@H](CCCCO1)C)[C@@H](C)CO)C
ChEBI Ontology
Outgoing 1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:104643) is a azamacrocycle (CHEBI:52898)
1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:104643) is a lactam (CHEBI:24995)
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