CHEBI:124708 - N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

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ChEBI Name N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
ChEBI ID CHEBI:124708
Stars This entity has been manually annotated by a third party.
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Formula C33H38N6O5
Net Charge 0
Average Mass 598.693
Monoisotopic Mass 598.29037
InChI InChI=1S/C33H38N6O5/c1-20-17-39(22(3)19-40)32(42)25-13-9-15-27(34-31(41)28-16-21(2)36-38(28)5)30(25)44-29(20)18-37(4)33(43)35-26-14-8-11-23-10-6-7-12-24(23)26/h6-16,20,22,29,40H,17-19H2,1-5H3,(H,34,41)(H,35,43)/t20-,22-,29+/m1/s1
InChIKey MSKWZOLQXMALEK-GLUMPRPGSA-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=CC5=CC=CC=C54)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide (CHEBI:124708) is a naphthalenes (CHEBI:25477)
Manual Xref Database
LSM-36150 LINCS
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