2-[(2S,4aR,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide (CHEBI:100013)

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CHEBI:100013 - 2-[(2S,4aR,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide

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ChEBI ID	CHEBI:100013
ChEBI Name	2-[(2S,4aR,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide
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Downloads	Molfile

Formula	C27H34N4O5
Net Charge	0
Average Mass	494.592
Monoisotopic Mass	494.25292
SMILES	CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@@H]1CO2
InChI	InChI=1S/C27H34N4O5/c1-4-28-27(34)30-19-10-13-23-21(14-19)26(33)31(3)22-12-11-20(36-24(22)16-35-23)15-25(32)29-17(2)18-8-6-5-7-9-18/h5-10,13-14,17,20,22,24H,4,11-12,15-16H2,1-3H3,(H,29,32)(H2,28,30,34)/t17-,20-,22+,24+/m0/s1
InChIKey	YBRLGVDHYMUGPQ-HYWXBTQMSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2S,4aR,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide (CHEBI:100013) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-11392	LINCS