N-[(2S,4aS,12aS)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide (CHEBI:99029)

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CHEBI:99029 - N-[(2S,4aS,12aS)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide

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ChEBI ID	CHEBI:99029
ChEBI Name	N-[(2S,4aS,12aS)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide
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Downloads	Molfile

Formula	C27H26Cl2N4O5S
Net Charge	0
Average Mass	589.501
Monoisotopic Mass	588.10010
SMILES	CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@H]2O[C@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@@H]21
InChI	InChI=1S/C27H26Cl2N4O5S/c1-33-22-6-4-17(10-25(34)30-11-15-2-5-19(28)20(29)8-15)38-24(22)12-37-23-7-3-16(9-18(23)27(33)36)32-26(35)21-13-39-14-31-21/h2-3,5,7-9,13-14,17,22,24H,4,6,10-12H2,1H3,(H,30,34)(H,32,35)/t17-,22-,24+/m0/s1
InChIKey	LHGVLKOLCXFJRT-OZWPHOJSSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,4aS,12aS)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide (CHEBI:99029) is a aromatic amide (CHEBI:62733)
	N-[(2S,4aS,12aS)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide (CHEBI:99029) is a thiazoles (CHEBI:48901)

Manual Xrefs	Databases
LSM-10408	LINCS