N-[(3S,9S,10R)-9-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]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]cyclohexanecarboxamide (CHEBI:127600)

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CHEBI:127600 - N-[(3S,9S,10R)-9-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]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]cyclohexanecarboxamide

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ChEBI ID	CHEBI:127600
ChEBI Name	N-[(3S,9S,10R)-9-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]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]cyclohexanecarboxamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C37H52N4O8
Net Charge	0
Average Mass	680.843
Monoisotopic Mass	680.37851
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2
InChI	InChI=1S/C37H52N4O8/c1-24-20-41(25(2)22-42)36(44)30-18-28(38-35(43)27-11-6-5-7-12-27)13-15-31(30)49-26(3)10-8-9-17-46-34(24)21-40(4)37(45)39-29-14-16-32-33(19-29)48-23-47-32/h13-16,18-19,24-27,34,42H,5-12,17,20-23H2,1-4H3,(H,38,43)(H,39,45)/t24-,25+,26+,34-/m1/s1
InChIKey	ZXBXKIUDJVVQDV-MJQNYGCISA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9S,10R)-9-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]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]cyclohexanecarboxamide (CHEBI:127600) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9S,10R)-9-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]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]cyclohexanecarboxamide (CHEBI:127600) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-39157	LINCS