CHEBI:108750 - 4-[[[(2R,3S)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[[[(2R,3S)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid
ChEBI ID CHEBI:108750
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H37FN4O6
Net Charge 0
Average Mass 592.659
Monoisotopic Mass 592.26971
InChI InChI=1S/C32H37FN4O6/c1-20-16-37(21(2)19-38)30(39)15-24-14-27(35-32(42)34-26-10-8-25(33)9-11-26)12-13-28(24)43-29(20)18-36(3)17-22-4-6-23(7-5-22)31(40)41/h4-14,20-21,29,38H,15-19H2,1-3H3,(H,40,41)(H2,34,35,42)/t20-,21-,29-/m0/s1
InChIKey KTBFUFCVUDUHMK-WURXVLGASA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)O[C@H]1CN(C)CC4=CC=C(C=C4)C(=O)O)[C@@H](C)CO
ChEBI Ontology
Outgoing 4-[[[(2R,3S)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid (CHEBI:108750) is a ureas (CHEBI:47857)
Manual Xref Database
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