CHEBI:96221 - N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide

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ChEBI Name N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide ChEBI ID CHEBI:96221 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H42N4O4 Net Charge 0 Average Mass 498.659 Monoisotopic Mass 498.32061 InChI InChI=1S/C28H42N4O4/c1-5-6-8-11-23-16-24-27(29-17-23)36-25(21(2)18-32(28(24)35)22(3)20-33)19-30(4)26(34)12-15-31-13-9-7-10-14-31/h16-17,21-22,25,33H,5-7,9-10,12-15,18-20H2,1-4H3/t21-,22+,25-/m1/s1 InChIKey VKSOWNIUNHUMMN-OTNCWRBYSA-N SMILES CCCC#CC1=CC2=C(N=C1)O[C@@H]([C@@H](CN(C2=O)[C@@H](C)CO)C)CN(C)C(=O)CCN3CCCCC3 ChEBI Ontology Outgoing N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide (CHEBI:96221) has functional parent β-amino acid (CHEBI:33706) N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide (CHEBI:96221) is a organonitrogen compound (CHEBI:35352) N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide (CHEBI:96221) is a organooxygen compound (CHEBI:36963) Manual Xref Database LSM-7600 LINCS View more database links