3-(1,3-benzodioxol-5-yl)-1-[[(2R,3S)-8-(3-hydroxyhex-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea (CHEBI:95480)

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CHEBI:95480 - 3-(1,3-benzodioxol-5-yl)-1-[[(2R,3S)-8-(3-hydroxyhex-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

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ChEBI ID	CHEBI:95480
ChEBI Name	3-(1,3-benzodioxol-5-yl)-1-[[(2R,3S)-8-(3-hydroxyhex-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
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Formula	C29H36N4O7
Net Charge	0
Average Mass	552.628
Monoisotopic Mass	552.25840
SMILES	CCCC(O)C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Nc1ccc3c(c1)OCO3)O2
InChI	InChI=1S/C29H36N4O7/c1-5-6-22(35)9-7-20-11-23-27(30-13-20)40-26(18(2)14-33(28(23)36)19(3)16-34)15-32(4)29(37)31-21-8-10-24-25(12-21)39-17-38-24/h8,10-13,18-19,22,26,34-35H,5-6,14-17H2,1-4H3,(H,31,37)/t18-,19+,22?,26-/m0/s1
InChIKey	VGYFAVFOCXCKID-WXCMXNBBSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-(1,3-benzodioxol-5-yl)-1-[[(2R,3S)-8-(3-hydroxyhex-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea (CHEBI:95480) is a benzodioxoles (CHEBI:38298)

Manual Xrefs	Databases
LSM-6859	LINCS