QG9

METHYL ((S)-1-(2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)-2-(4-(PYRIDIN-4-YL)BENZYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE


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Chemical Component Summary

NameMETHYL ((S)-1-(2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)-2-(4-(PYRIDIN-4-YL)BENZYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE
Identifiersmethyl N-[(2S)-3,3-dimethyl-1-oxidanylidene-1-[2-[3-[(3S,4S)-4-oxidanyl-1-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-2-oxidanylidene-3-(phenylmethyl)pyrrolidin-3-yl]propyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate
FormulaC43 H51 N5 O6
Molecular Weight733.895
TypeNON-POLYMER
Isomeric SMILESCC(C)(C)[C@@H](C(=O)NN(CCC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC
InChIInChI=1S/C43H51N5O6/c1-42(2,3)38(45-41(53)54-4)39(51)46-47(27-30-15-17-31(18-16-30)32-19-22-44-23-20-32)24-10-21-43(26-29-11-6-5-7-12-29)36(50)28-48(40(43)52)37-34-14-9-8-13-33(34)25-35(37)49/h5-9,11-20,22-23,35-38,49-50H,10,21,24-28H2,1-4H3,(H,45,53)(H,46,51)/t35-,36-,37+,38-,43+/m1/s1
InChIKeyZKMZXBMNTSRUBW-NPHQGNLKSA-N

Chemical Details

Formal Charge0
Atom Count105
Chiral Atom Count5
Bond Count110
Aromatic Bond Count24

Related Resource References

Resource NameReference
PubChem 56955952
ChEMBL CHEMBL2031101