N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide (CHEBI:111598)

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CHEBI:111598 - N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

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ChEBI ID	CHEBI:111598
ChEBI Name	N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
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Downloads	Molfile

Formula	C30H35N5O6
Net Charge	0
Average Mass	561.639
Monoisotopic Mass	561.25873
SMILES	COc1ccc(NC(=O)N(C)C[C@H]2Oc3c(NC(=O)c4ccncc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1
InChI	InChI=1S/C30H35N5O6/c1-19-16-35(20(2)18-36)29(38)24-6-5-7-25(33-28(37)21-12-14-31-15-13-21)27(24)41-26(19)17-34(3)30(39)32-22-8-10-23(40-4)11-9-22/h5-15,19-20,26,36H,16-18H2,1-4H3,(H,32,39)(H,33,37)/t19-,20+,26-/m1/s1
InChIKey	YPMOLAXPZMKSMS-BVFVYWQFSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide (CHEBI:111598) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-23012	LINCS