CHEBI:103627 - N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide

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ChEBI Name N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide
ChEBI ID CHEBI:103627
Stars This entity has been manually annotated by a third party.
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Formula C34H50N4O6
Net Charge 0
Average Mass 610.785
Monoisotopic Mass 610.37304
InChI InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25+,26+,31+/m0/s1
InChIKey JEEWDARUSPNTGW-BCVXLEMTSA-N
SMILES C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C
ChEBI Ontology
Outgoing N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide (CHEBI:103627) is a azamacrocycle (CHEBI:52898)
N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide (CHEBI:103627) is a lactam (CHEBI:24995)
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Last Modified
03 March 2016