2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester (CHEBI:101766)

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CHEBI:101766 - 2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

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ChEBI ID	CHEBI:101766
ChEBI Name	2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
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Downloads	Molfile

Formula	C23H26N2O6S
Net Charge	0
Average Mass	458.536
Monoisotopic Mass	458.15116
SMILES	COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1
InChI	InChI=1S/C23H26N2O6S/c1-25-18-7-6-15(11-22(27)29-2)31-20(18)13-30-19-8-5-14(10-17(19)23(25)28)24-21(26)12-16-4-3-9-32-16/h3-5,8-10,15,18,20H,6-7,11-13H2,1-2H3,(H,24,26)/t15-,18-,20+/m0/s1
InChIKey	VIAXYKVUXVILCJ-ZAAXVRCTSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester (CHEBI:101766) is a aromatic amide (CHEBI:62733)

Manual Xrefs	Databases
LSM-13128	LINCS