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CHEBI:111613 - 1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:111613
ChEBI Name1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
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DownloadsMolfile
FormulaC27H38N4O4
Net Charge0
Average Mass482.625
Monoisotopic Mass482.28931
SMILESCC(C)NC(=O)Nc1cccc2c1O[C@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@@H](C)CO)C2=O
InChIInChI=1S/C27H38N4O4/c1-18(2)28-27(34)29-23-13-9-12-22-25(23)35-24(16-30(5)15-21-10-7-6-8-11-21)19(3)14-31(26(22)33)20(4)17-32/h6-13,18-20,24,32H,14-17H2,1-5H3,(H2,28,29,34)/t19-,20+,24-/m1/s1
InChIKeyNCIZYGIVVKAPIW-JXALWOEJSA-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)
1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea (CHEBI:111613) is a aromatic amine (CHEBI:33860)
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