A69/PRD_000948

N-{(2S,3R)-4-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(3-PHENYLPROPYL)AMINO]-3-HYDROXY-1-PHENYLBUTAN-2-YL}-3-HYDROXYBENZAMIDE

A69/PRD_000948 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3SA5.

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Chemical Component Summary

NameN-{(2S,3R)-4-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(3-PHENYLPROPYL)AMINO]-3-HYDROXY-1-PHENYLBUTAN-2-YL}-3-HYDROXYBENZAMIDE
IdentifiersN-[(2S,3R)-4-[1,3-benzothiazol-6-ylsulfonyl(3-phenylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-oxidanyl-benzamide
FormulaC33 H33 N3 O5 S2
Molecular Weight615.762
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)CCC[N@@](C[C@H]([C@H](Cc2ccccc2)NC(=O)c3cccc(c3)O)O)S(=O)(=O)c4ccc5c(c4)scn5
InChIInChI=1S/C33H33N3O5S2/c37-27-15-7-14-26(20-27)33(39)35-30(19-25-11-5-2-6-12-25)31(38)22-36(18-8-13-24-9-3-1-4-10-24)43(40,41)28-16-17-29-32(21-28)42-23-34-29/h1-7,9-12,14-17,20-21,23,30-31,37-38H,8,13,18-19,22H2,(H,35,39)/t30-,31+/m0/s1
InChIKeyOLPAULVXKPQQPH-IOWSJCHKSA-N
CompositionPolymer Sequences: 3HB-FF0-B6S
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count76
Chiral Atom Count2
Bond Count80
Aromatic Bond Count28

Related Resource References

Resource NameReference
PubChem 56973518