CHEBI:109944 - 3-[[[(2S,3R)-8-(2-cyclopropylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl-methylamino]methyl]benzoic acid

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ChEBI Name 3-[[[(2S,3R)-8-(2-cyclopropylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl-methylamino]methyl]benzoic acid ChEBI ID CHEBI:109944 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 C28H33N3O5 Net Charge 0 Average Mass 491.580 Monoisotopic Mass 491.24202 InChI InChI=1S/C28H33N3O5/c1-18-14-31(19(2)17-32)27(33)24-12-21(10-9-20-7-8-20)13-29-26(24)36-25(18)16-30(3)15-22-5-4-6-23(11-22)28(34)35/h4-6,11-13,18-20,25,32H,7-8,14-17H2,1-3H3,(H,34,35)/t18-,19+,25-/m1/s1 InChIKey UQQOYFSIYPJILQ-HHJKRLRDSA-N SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3CC3)O[C@@H]1CN(C)CC4=CC=CC(=C4)C(=O)O)[C@@H](C)CO Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3-[[[(2S,3R)-8-(2-cyclopropylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl-methylamino]methyl]benzoic acid (CHEBI:109944) is a benzoic acids (CHEBI:22723) Manual Xref Database LSM-21371 LINCS View more database links