(Q76324939)

English

propyl N-[(2S,3S)-3-hydroxy-3-[5-[[4-(2H-inden-2-ylcarbamoyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]-2-[2-[(3R)-pyrrolidin-3-yl]ethyl]oxiran-2-yl]carbamate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

573.25873384 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₁H₃₅N₅O₆

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canonical SMILES

CCCOC(=O)NC1(CCC2CCNC2)OC1(O)c1noc(Cc2ccc(C(=O)NC3C=c4ccccc4=C3)cc2)n1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCOC(=O)N[C@@]1([C@@](O1)(C2=NOC(=N2)CC3=CC=C(C=C3)C(=O)NC4C=C5C=CC=CC5=C4)O)CC[C@@H]6CCNC6

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Identifiers

InChI

InChI=1S/C31H35N5O6/c1-2-15-40-29(38)35-30(13-11-21-12-14-32-19-21)31(39,42-30)28-34-26(41-36-28)16-20-7-9-22(10-8-20)27(37)33-25-17-23-5-3-4-6-24(23)18-25/h3-10,17-18,21,25,32,39H,2,11-16,19H2,1H3,(H,33,37)(H,35,38)/t21-,30+,31+/m1/s1

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InChIKey

PVMXNHVGPWCSMZ-VHOLSGDPSA-N

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PubChem CID

6420190

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matched by identifier from

InChIKey

PVMXNHVGPWCSMZ-VHOLSGDPSA-N

1 reference

(Q76324939)

propyl N-[(2S,3S)-3-hydroxy-3-[5-[[4-(2H-inden-2-ylcarbamoyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]-2-[2-[(3R)-pyrrolidin-3-yl]ethyl]oxiran-2-yl]carbamate

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