MU0

(5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY-4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]-2-OXO-3-PHENYL-1,3-OXAZOLIDINE-5-CARBOXAMIDE

Created: 2007-06-01
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count93
Chiral Atom Count5
Bond Count97
Aromatic Bond Count18
2D diagram of MU0
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Chemical Component Summary

Name(5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY-4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]-2-OXO-3-PHENYL-1,3-OXAZOLIDINE-5-CARBOXAMIDE
Systematic Name (OpenEye OEToolkits)(5S)-N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]amino]-1,6-diphenyl-hexan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
FormulaC37 H45 N5 O6
Molecular Weight655.783
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C5OC(C(=O)NC(Cc1ccccc1)C(O)CC(NC(=O)C(N2C(=O)NCCC2)C(C)C)Cc3ccccc3)CN5c4ccccc4
SMILESCACTVS3.341CC(C)[CH](N1CCCNC1=O)C(=O)N[CH](C[CH](O)[CH](Cc2ccccc2)NC(=O)[CH]3CN(C(=O)O3)c4ccccc4)Cc5ccccc5
SMILESOpenEye OEToolkits1.5.0CC(C)C(C(=O)NC(Cc1ccccc1)CC(C(Cc2ccccc2)NC(=O)C3CN(C(=O)O3)c4ccccc4)O)N5CCCNC5=O
Canonical SMILESCACTVS3.341 CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4ccccc4)Cc5ccccc5
Canonical SMILESOpenEye OEToolkits1.5.0 CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4ccccc4)O)N5CCCNC5=O
InChIInChI1.03 InChI=1S/C37H45N5O6/c1-25(2)33(41-20-12-19-38-36(41)46)35(45)39-28(21-26-13-6-3-7-14-26)23-31(43)30(22-27-15-8-4-9-16-27)40-34(44)32-24-42(37(47)48-32)29-17-10-5-11-18-29/h3-11,13-18,25,28,30-33,43H,12,19-24H2,1-2H3,(H,38,46)(H,39,45)(H,40,44)/t28-,30-,31-,32-,33-/m0/s1
InChIKeyInChI1.03 YTEURAFEAFHROU-FLIXOAOSSA-N

Related Resource References

Resource NameReference
PubChem 16006040
ChEMBL CHEMBL245221