CHEBI:108617 - 4,4,4-trifluoro-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4,4,4-trifluoro-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
ChEBI ID CHEBI:108617
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H37F3N4O5
Net Charge 0
Average Mass 614.656
Monoisotopic Mass 614.27160
InChI InChI=1S/C32H37F3N4O5/c1-20-17-39(21(2)19-40)30(42)16-23-15-24(36-29(41)13-14-32(33,34)35)11-12-27(23)44-28(20)18-38(3)31(43)37-26-10-6-8-22-7-4-5-9-25(22)26/h4-12,15,20-21,28,40H,13-14,16-19H2,1-3H3,(H,36,41)(H,37,43)/t20-,21+,28+/m1/s1
InChIKey QFRXUVVOSLWYNG-GGJMMHKRSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@H]1CN(C)C(=O)NC3=CC=CC4=CC=CC=C43)[C@@H](C)CO
ChEBI Ontology
Outgoing 4,4,4-trifluoro-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide (CHEBI:108617) is a naphthalenes (CHEBI:25477)
Manual Xref Database
LSM-20017 LINCS
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