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CHEBI:123946 - N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

Default Structure
ChEBI IDCHEBI:123946
ChEBI NameN-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
Stars
DownloadsMolfile
FormulaC34H43N5O6
Net Charge0
Average Mass617.747
Monoisotopic Mass617.32133
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@@H]1CN(C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C34H43N5O6/c1-23-20-39(24(2)22-40)33(42)28-19-26(35-32(41)13-14-38-15-17-44-18-16-38)11-12-30(28)45-31(23)21-37(3)34(43)36-29-10-6-8-25-7-4-5-9-27(25)29/h4-12,19,23-24,31,40H,13-18,20-22H2,1-3H3,(H,35,41)(H,36,43)/t23-,24+,31-/m1/s1
InChIKeyNJKSMJYTSLFNSQ-ULPIOCOXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:123946) has functional parent β-amino acid (CHEBI:33706)
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:123946) is a organonitrogen compound (CHEBI:35352)
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:123946) is a organooxygen compound (CHEBI:36963)
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