N-[[(3S,9R,10S)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2R)-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]-N-methyl-2-phenylacetamide (CHEBI:127745)

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CHEBI:127745 - N-[[(3S,9R,10S)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2R)-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]-N-methyl-2-phenylacetamide

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ChEBI ID	CHEBI:127745
ChEBI Name	N-[[(3S,9R,10S)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2R)-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]-N-methyl-2-phenylacetamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C38H48N4O8
Net Charge	0
Average Mass	688.822
Monoisotopic Mass	688.34721
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O
InChI	InChI=1S/C38H48N4O8/c1-25-21-42(26(2)23-43)37(45)31-19-29(39-38(46)40-30-14-16-33-34(20-30)49-24-48-33)13-15-32(31)50-27(3)10-8-9-17-47-35(25)22-41(4)36(44)18-28-11-6-5-7-12-28/h5-7,11-16,19-20,25-27,35,43H,8-10,17-18,21-24H2,1-4H3,(H2,39,40,46)/t25-,26+,27-,35-/m0/s1
InChIKey	WVXDBMICDQPVNB-HJBDBDOVSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(3S,9R,10S)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2R)-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]-N-methyl-2-phenylacetamide (CHEBI:127745) is a azamacrocycle (CHEBI:52898)
	N-[[(3S,9R,10S)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2R)-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]-N-methyl-2-phenylacetamide (CHEBI:127745) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-39302	LINCS