AF8/PRD_000955

3-HYDROXY-N-{(2S,3R)-3-HYDROXY-4-[(2-METHYLPROPYL){[5-(1,2-OXAZOL-5-YL)THIOPHEN-2-YL]SULFONYL}AMINO]-1-PHENYLBUTAN-2-YL}BENZAMIDE

AF8/PRD_000955 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3SAC.

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Chemical Component Summary

Name3-HYDROXY-N-{(2S,3R)-3-HYDROXY-4-[(2-METHYLPROPYL){[5-(1,2-OXAZOL-5-YL)THIOPHEN-2-YL]SULFONYL}AMINO]-1-PHENYLBUTAN-2-YL}BENZAMIDE
IdentifiersN-[(2S,3R)-4-[2-methylpropyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-oxidanyl-benzamide
FormulaC28 H31 N3 O6 S2
Molecular Weight569.692
TypeNON-POLYMER
Isomeric SMILESCC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccno4
InChIInChI=1S/C28H31N3O6S2/c1-19(2)17-31(39(35,36)27-12-11-26(38-27)25-13-14-29-37-25)18-24(33)23(15-20-7-4-3-5-8-20)30-28(34)21-9-6-10-22(32)16-21/h3-14,16,19,23-24,32-33H,15,17-18H2,1-2H3,(H,30,34)/t23-,24+/m0/s1
InChIKeyYMMHVVLAGFSMTG-BJKOFHAPSA-N
CompositionPolymer Sequences: 3HB-FV0-5TS
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count70
Chiral Atom Count2
Bond Count73
Aromatic Bond Count23

Related Resource References

Resource NameReference
PubChem 56973524