CHEBI:124812 - N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
ChEBI ID CHEBI:124812
Stars This entity has been manually annotated by a third party.
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Formula C30H35N5O6
Net Charge 0
Average Mass 561.630
Monoisotopic Mass 561.25873
InChI InChI=1S/C30H35N5O6/c1-19-16-35(20(2)18-36)29(38)25-15-23(32-28(37)21-11-13-31-14-12-21)7-10-26(25)41-27(19)17-34(3)30(39)33-22-5-8-24(40-4)9-6-22/h5-15,19-20,27,36H,16-18H2,1-4H3,(H,32,37)(H,33,39)/t19-,20+,27-/m0/s1
InChIKey QWFSWDLRFATGAF-VKIDHGPPSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)O[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)OC)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide (CHEBI:124812) is a ureas (CHEBI:47857)
Manual Xref Database
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