2-[(2S,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide (CHEBI:101945)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:101945 - 2-[(2S,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide

Take structure to advanced search

ChEBI ID	CHEBI:101945
ChEBI Name	2-[(2S,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide
Stars
Downloads	Molfile

Formula	C30H33N3O6S
Net Charge	0
Average Mass	563.676
Monoisotopic Mass	563.20901
SMILES	CN1C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@H]21
InChI	InChI=1S/C30H33N3O6S/c1-33-26-14-13-24(17-29(34)31-18-20-8-10-22(11-9-20)21-6-4-3-5-7-21)39-28(26)19-38-27-15-12-23(32-40(2,36)37)16-25(27)30(33)35/h3-12,15-16,24,26,28,32H,13-14,17-19H2,1-2H3,(H,31,34)/t24-,26+,28-/m0/s1
InChIKey	IPBHQWGLWRAHKP-YIOBJHAYSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2S,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide (CHEBI:101945) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-13306	LINCS