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CHEBI:129729 - N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-tetrazolyl)acetamide

ChEBI IDCHEBI:129729
ChEBI NameN-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-tetrazolyl)acetamide
Stars
DownloadsMolfile
FormulaC27H35N7O5
Net Charge0
Average Mass537.621
Monoisotopic Mass537.26997
SMILESCOc1ccc(CN(C)C[C@@H]2Oc3ccc(NC(=O)Cn4cnnn4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C27H35N7O5/c1-18-12-34(19(2)16-35)27(37)23-11-21(29-26(36)15-33-17-28-30-31-33)7-10-24(23)39-25(18)14-32(3)13-20-5-8-22(38-4)9-6-20/h5-11,17-19,25,35H,12-16H2,1-4H3,(H,29,36)/t18-,19+,25-/m0/s1
InChIKeyKOLIFEMIJDNSLG-CEYNDMKZSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-tetrazolyl)acetamide (CHEBI:129729) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
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