(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100879)

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CHEBI:100879 - (3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI ID	CHEBI:100879
ChEBI Name	(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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Downloads	Molfile

Formula	C34H35N3O5S
Net Charge	0
Average Mass	597.737
Monoisotopic Mass	597.22974
SMILES	CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(-c4ccccc4)c3)c2[C@H]1CCO
InChI	InChI=1S/C34H35N3O5S/c1-34(2,3)43(40)37-20-26-18-27(33(39)35-19-22-12-13-29-30(16-22)42-21-41-29)36-32(31(26)28(37)14-15-38)25-11-7-10-24(17-25)23-8-5-4-6-9-23/h4-13,16-18,28,38H,14-15,19-21H2,1-3H3,(H,35,39)/t28-,43-/m1/s1
InChIKey	ONCHJBADZSUODG-HOHRNCFUSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100879) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-12253	LINCS