N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide (CHEBI:131127)

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CHEBI:131127 - N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide

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ChEBI ID	CHEBI:131127
ChEBI Name	N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide
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Formula	C35H40N4O6
Net Charge	0
Average Mass	612.727
Monoisotopic Mass	612.29478
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2
InChI	InChI=1S/C35H40N4O6/c1-22-16-39(23(2)20-40)35(42)28-15-26(36-34(41)14-25-18-38(4)29-8-6-5-7-27(25)29)10-12-30(28)45-33(22)19-37(3)17-24-9-11-31-32(13-24)44-21-43-31/h5-13,15,18,22-23,33,40H,14,16-17,19-21H2,1-4H3,(H,36,41)/t22-,23+,33+/m1/s1
InChIKey	JVQYZDSRPVTFBX-QYUJLGCLSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide (CHEBI:131127) is a indoles (CHEBI:24828)

Manual Xrefs	Databases
LSM-42675	LINCS