CHEBI:127341 - N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

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ChEBI Name N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
ChEBI ID CHEBI:127341
Stars This entity has been manually annotated by a third party.
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Formula C30H38N6O6
Net Charge 0
Average Mass 578.660
Monoisotopic Mass 578.28528
InChI InChI=1S/C30H38N6O6/c1-18-15-36(20(3)17-37)29(39)23-8-7-9-24(32-28(38)25-14-19(2)33-35(25)5)27(23)42-26(18)16-34(4)30(40)31-21-10-12-22(41-6)13-11-21/h7-14,18,20,26,37H,15-17H2,1-6H3,(H,31,40)(H,32,38)/t18-,20+,26-/m1/s1
InChIKey HPUYAVSHZWULCP-ZTEVPRNISA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC(=NN3C)C)O[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)OC)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide (CHEBI:127341) is a ureas (CHEBI:47857)
Manual Xref Database
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