UX9

methyl [(2S)-1-{2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate


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Chemical Component Summary

Namemethyl [(2S)-1-{2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-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-[2-[(3R,4S)-4-oxidanyl-1-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-2-oxidanylidene-3-(phenylmethyl)pyrrolidin-3-yl]ethyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate
FormulaC42 H49 N5 O6
Molecular Weight719.868
TypeNON-POLYMER
Isomeric SMILESCC(C)(C)[C@@H](C(=O)NN(CC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC
InChIInChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-14-16-30(17-15-29)31-18-21-43-22-19-31)23-20-42(25-28-10-6-5-7-11-28)35(49)27-47(39(42)51)36-33-13-9-8-12-32(33)24-34(36)48/h5-19,21-22,34-37,48-49H,20,23-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35-,36+,37-,42+/m1/s1
InChIKeyUUCOHTKAVQHJKS-IQEGRXIQSA-N

Chemical Details

Formal Charge0
Atom Count102
Chiral Atom Count5
Bond Count107
Aromatic Bond Count24

Related Resource References

Resource NameReference
PubChem 57342697
ChEMBL CHEMBL2030954