N-[(2S,4aR,12aS)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-thiazole-4-carboxamide (CHEBI:98325)

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CHEBI:98325 - N-[(2S,4aR,12aS)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-thiazole-4-carboxamide

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ChEBI ID	CHEBI:98325
ChEBI Name	N-[(2S,4aR,12aS)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-thiazole-4-carboxamide
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Downloads	Molfile

Formula	C25H31N5O5S
Net Charge	0
Average Mass	513.620
Monoisotopic Mass	513.20459
SMILES	CN1CCN(C(=O)C[C@@H]2CC[C@@H]3[C@@H](COc4ccc(NC(=O)c5cscn5)cc4C(=O)N3C)O2)CC1
InChI	InChI=1S/C25H31N5O5S/c1-28-7-9-30(10-8-28)23(31)12-17-4-5-20-22(35-17)13-34-21-6-3-16(11-18(21)25(33)29(20)2)27-24(32)19-14-36-15-26-19/h3,6,11,14-15,17,20,22H,4-5,7-10,12-13H2,1-2H3,(H,27,32)/t17-,20+,22+/m0/s1
InChIKey	MBWHXZFHLNKYMT-UCNVEGJOSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,4aR,12aS)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-thiazole-4-carboxamide (CHEBI:98325) is a aromatic amide (CHEBI:62733)
	N-[(2S,4aR,12aS)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-thiazole-4-carboxamide (CHEBI:98325) is a thiazoles (CHEBI:48901)

Manual Xrefs	Databases
LSM-9704	LINCS