CHEBI:126670 - N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
ChEBI ID CHEBI:126670
Stars This entity has been manually annotated by a third party.
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Formula C29H47N5O5
Net Charge 0
Average Mass 545.715
Monoisotopic Mass 545.35772
InChI InChI=1S/C29H47N5O5/c1-20-17-34(21(2)19-35)28(37)24-16-23(30-27(36)12-9-15-32(3)4)13-14-25(24)39-26(20)18-33(5)29(38)31-22-10-7-6-8-11-22/h13-14,16,20-22,26,35H,6-12,15,17-19H2,1-5H3,(H,30,36)(H,31,38)/t20-,21+,26-/m0/s1
InChIKey HVZAAXCGJPPTNA-UZINWLIJSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@H]1CN(C)C(=O)NC3CCCCC3)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide (CHEBI:126670) is a aromatic amide (CHEBI:62733)
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