CHEBI:130689 - N-[(2S,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide

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ChEBI Name N-[(2S,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
ChEBI ID CHEBI:130689
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H37N5O6
Net Charge 0
Average Mass 563.646
Monoisotopic Mass 563.27438
InChI InChI=1S/C30H37N5O6/c1-18-15-35(19(2)17-36)29(38)24-14-23(31-27(37)13-22-9-7-6-8-10-22)11-12-25(24)40-26(18)16-34(5)30(39)32-28-20(3)33-41-21(28)4/h6-12,14,18-19,26,36H,13,15-17H2,1-5H3,(H,31,37)(H,32,39)/t18-,19-,26+/m0/s1
InChIKey KBNILDCQMNAARZ-LZJCXSABSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@@H]1CN(C)C(=O)NC4=C(ON=C4C)C)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide (CHEBI:130689) is a acetamides (CHEBI:22160)
Manual Xref Database
LSM-42238 LINCS
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