CHEBI:124103 - N-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide

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ChEBI Name N-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide
ChEBI ID CHEBI:124103
Stars This entity has been manually annotated by a third party.
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Formula C28H44N4O5
Net Charge 0
Average Mass 516.674
Monoisotopic Mass 516.33117
InChI InChI=1S/C28H44N4O5/c1-20-16-32(21(2)19-33)28(35)15-23-14-24(29-27(34)8-9-31-10-12-36-13-11-31)6-7-25(23)37-26(20)18-30(3)17-22-4-5-22/h6-7,14,20-22,26,33H,4-5,8-13,15-19H2,1-3H3,(H,29,34)/t20-,21-,26-/m1/s1
InChIKey IFEBRFLUWXZZQL-IPVFLDMMSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)CC4CC4)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:124103) has functional parent β-amino acid (CHEBI:33706)
N-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:124103) is a organonitrogen compound (CHEBI:35352)
N-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:124103) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-35545 LINCS
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