CHEBI:124877 - N-[(2S,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
ChEBI ID CHEBI:124877
Stars This entity has been manually annotated by a third party.
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Formula C29H44N4O6
Net Charge 0
Average Mass 544.684
Monoisotopic Mass 544.32609
InChI InChI=1S/C29H44N4O6/c1-19-16-33(20(2)18-34)28(36)23-10-7-11-24(31-27(35)21-12-14-38-15-13-21)26(23)39-25(19)17-32(3)29(37)30-22-8-5-4-6-9-22/h7,10-11,19-22,25,34H,4-6,8-9,12-18H2,1-3H3,(H,30,37)(H,31,35)/t19-,20-,25-/m1/s1
InChIKey YTYKLMHRHBYYNG-UMEGOILYSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CCOCC3)O[C@@H]1CN(C)C(=O)NC4CCCCC4)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide (CHEBI:124877) is a aromatic amide (CHEBI:62733)
Manual Xref Database
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