N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(3-propan-2-ylanilino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide (CHEBI:102186)

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CHEBI:102186 - N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(3-propan-2-ylanilino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide

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ChEBI ID	CHEBI:102186
ChEBI Name	N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(3-propan-2-ylanilino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide
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Last Modified	7 March 2018
Downloads	Molfile

Formula	C30H33N5O5
Net Charge	0
Average Mass	543.624
Monoisotopic Mass	543.24817
SMILES	CC(C)c1cccc(NC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NC(=O)c5cnccn5)cc4C(=O)N3C)O2)c1
InChI	InChI=1S/C30H33N5O5/c1-18(2)19-5-4-6-20(13-19)33-28(36)15-22-8-9-25-27(40-22)17-39-26-10-7-21(14-23(26)30(38)35(25)3)34-29(37)24-16-31-11-12-32-24/h4-7,10-14,16,18,22,25,27H,8-9,15,17H2,1-3H3,(H,33,36)(H,34,37)/t22-,25+,27-/m1/s1
InChIKey	RRAKYIDNKDNDJG-BUALBWRZSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(3-propan-2-ylanilino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide (CHEBI:102186) is a pyrazines (CHEBI:38314)
	N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(3-propan-2-ylanilino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide (CHEBI:102186) is a secondary carboxamide (CHEBI:140325)
	N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(3-propan-2-ylanilino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide (CHEBI:102186) is a tertiary carboxamide (CHEBI:140326)

Manual Xrefs	Databases
LSM-13544	LINCS