N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-[(4-methoxyphenyl)sulfonylamino]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:128845)

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CHEBI:128845 - N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-[(4-methoxyphenyl)sulfonylamino]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide

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ChEBI ID	CHEBI:128845
ChEBI Name	N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-[(4-methoxyphenyl)sulfonylamino]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C37H49N3O8S
Net Charge	0
Average Mass	695.879
Monoisotopic Mass	695.32404
SMILES	COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Cc2ccccc2)OCCCC[C@H](C)O3)cc1
InChI	InChI=1S/C37H49N3O8S/c1-26-23-40(27(2)25-41)37(43)33-22-30(38-49(44,45)32-17-15-31(46-5)16-18-32)14-19-34(33)48-28(3)11-9-10-20-47-35(26)24-39(4)36(42)21-29-12-7-6-8-13-29/h6-8,12-19,22,26-28,35,38,41H,9-11,20-21,23-25H2,1-5H3/t26-,27+,28-,35-/m0/s1
InChIKey	HXZIZSCMFAWFBH-FOWIORFYSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-[(4-methoxyphenyl)sulfonylamino]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:128845) is a azamacrocycle (CHEBI:52898)
	N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-[(4-methoxyphenyl)sulfonylamino]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:128845) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-40397	LINCS