CHEBI:113911 - 1-[[(2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

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ChEBI Name 1-[[(2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea ChEBI ID CHEBI:113911 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 C28H37N5O5 Net Charge 0 Average Mass 523.625 Monoisotopic Mass 523.27947 InChI InChI=1S/C28H37N5O5/c1-19-16-33(20(2)18-34)27(35)24-14-21(8-7-13-31(3)4)15-29-26(24)38-25(19)17-32(5)28(36)30-22-9-11-23(37-6)12-10-22/h9-12,14-15,19-20,25,34H,13,16-18H2,1-6H3,(H,30,36)/t19-,20-,25+/m0/s1 InChIKey HTMGNWWTKIFEMM-ZYLNGJIFSA-N SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCN(C)C)O[C@@H]1CN(C)C(=O)NC3=CC=C(C=C3)OC)[C@@H](C)CO ChEBI Ontology Outgoing 1-[[(2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea (CHEBI:113911) is a ureas (CHEBI:47857) Manual Xref Database LSM-25343 LINCS View more database links