1-[(2S,3S)-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-10-yl]-3-(4-methoxyphenyl)urea (CHEBI:125813)

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CHEBI:125813 - 1-[(2S,3S)-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-10-yl]-3-(4-methoxyphenyl)urea

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ChEBI ID	CHEBI:125813
ChEBI Name	1-[(2S,3S)-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-10-yl]-3-(4-methoxyphenyl)urea
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Downloads	Molfile

Formula	C32H38N4O7
Net Charge	0
Average Mass	590.677
Monoisotopic Mass	590.27405
SMILES	COc1ccc(NC(=O)Nc2cccc3c2O[C@H](CN(C)Cc2ccc4c(c2)OCO4)[C@@H](C)CN([C@@H](C)CO)C3=O)cc1
InChI	InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)25-6-5-7-26(34-32(39)33-23-9-11-24(40-4)12-10-23)30(25)43-29(20)17-35(3)16-22-8-13-27-28(14-22)42-19-41-27/h5-14,20-21,29,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21-,29+/m0/s1
InChIKey	QWIQMHSQTXUQBK-LRZFZUCMSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(2S,3S)-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-10-yl]-3-(4-methoxyphenyl)urea (CHEBI:125813) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-37381	LINCS