CHEBI:124144 - N-[(2S,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-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,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
ChEBI ID CHEBI:124144
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H38N4O8
Net Charge 0
Average Mass 582.646
Monoisotopic Mass 582.26896
InChI InChI=1S/C30H38N4O8/c1-18-14-34(19(2)16-35)29(37)22-5-4-6-23(32-28(36)20-9-11-39-12-10-20)27(22)42-26(18)15-33(3)30(38)31-21-7-8-24-25(13-21)41-17-40-24/h4-8,13,18-20,26,35H,9-12,14-17H2,1-3H3,(H,31,38)(H,32,36)/t18-,19-,26+/m0/s1
InChIKey LWKACWSSJQZAMU-LZJCXSABSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CCOCC3)O[C@@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide (CHEBI:124144) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
LSM-35586 LINCS
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