2-[(2S,4aR,12aR)-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]-N-[(4-phenylphenyl)methyl]acetamide (CHEBI:100617)

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CHEBI:100617 - 2-[(2S,4aR,12aR)-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]-N-[(4-phenylphenyl)methyl]acetamide

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ChEBI ID	CHEBI:100617
ChEBI Name	2-[(2S,4aR,12aR)-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]-N-[(4-phenylphenyl)methyl]acetamide
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Downloads	Molfile

Formula	C35H35N3O5S
Net Charge	0
Average Mass	609.748
Monoisotopic Mass	609.22974
SMILES	CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@H]21
InChI	InChI=1S/C35H35N3O5S/c1-38-30-15-14-27(19-33(39)36-21-23-9-11-25(12-10-23)24-6-3-2-4-7-24)43-32(30)22-42-31-16-13-26(18-29(31)35(38)41)37-34(40)20-28-8-5-17-44-28/h2-13,16-18,27,30,32H,14-15,19-22H2,1H3,(H,36,39)(H,37,40)/t27-,30+,32-/m0/s1
InChIKey	DRCDGYYITPZHEH-KUYURNMDSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2S,4aR,12aR)-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]-N-[(4-phenylphenyl)methyl]acetamide (CHEBI:100617) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-11991	LINCS