N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide (CHEBI:111744)

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CHEBI:111744 - N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide

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ChEBI ID	CHEBI:111744
ChEBI Name	N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
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Downloads	Molfile

Formula	C30H39N3O7
Net Charge	0
Average Mass	553.656
Monoisotopic Mass	553.27880
SMILES	C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)C3CCOCC3)c2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2
InChI	InChI=1S/C30H39N3O7/c1-19-14-33(20(2)17-34)30(36)23-5-4-6-24(31-29(35)22-9-11-37-12-10-22)28(23)40-27(19)16-32(3)15-21-7-8-25-26(13-21)39-18-38-25/h4-8,13,19-20,22,27,34H,9-12,14-18H2,1-3H3,(H,31,35)/t19-,20-,27-/m1/s1
InChIKey	NQBSYXGUJZNUSC-SEXOINJZSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide (CHEBI:111744) is a benzodioxoles (CHEBI:38298)

Manual Xrefs	Databases
LSM-23158	LINCS