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CHEBI:124900 - 4-[[[(2S,3R)-9-[[cyclohexyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid

ChEBI IDCHEBI:124900
ChEBI Name4-[[[(2S,3R)-9-[[cyclohexyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid
Stars
DownloadsMolfile
FormulaC32H43N3O6
Net Charge0
Average Mass565.711
Monoisotopic Mass565.31519
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)C3CCCCC3)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C32H43N3O6/c1-21-17-35(22(2)20-36)30(37)16-26-15-27(33-31(38)24-7-5-4-6-8-24)13-14-28(26)41-29(21)19-34(3)18-23-9-11-25(12-10-23)32(39)40/h9-15,21-22,24,29,36H,4-8,16-20H2,1-3H3,(H,33,38)(H,39,40)/t21-,22-,29-/m1/s1
InChIKeyHSFKBSVDQSMDKQ-IEOSBIPESA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-[[[(2S,3R)-9-[[cyclohexyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid (CHEBI:124900) is a benzoic acids (CHEBI:22723)
Manual XrefsDatabases
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