CHEBI:102263 - (3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI Name (3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
ChEBI ID CHEBI:102263
Stars This entity has been manually annotated by a third party.
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Formula C31H33N5O3S
Net Charge 0
Average Mass 555.693
Monoisotopic Mass 555.23041
InChI InChI=1S/C31H33N5O3S/c1-31(2,3)40(39)36-20-25-18-26(30(38)34-19-21-7-12-32-13-8-21)35-29(28(25)27(36)11-16-37)24-6-4-5-23(17-24)22-9-14-33-15-10-22/h4-10,12-15,17-18,27,37H,11,16,19-20H2,1-3H3,(H,34,38)/t27-,40-/m0/s1
InChIKey VKWMOKPZZRMWDJ-PDBZVODSSA-N
SMILES CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)NCC5=CC=NC=C5
ChEBI Ontology
Outgoing (3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:102263) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
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