D50

N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucine


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Chemical Component Summary

NameN-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucine
SynonymsBestatin derivative 7d
Identifiers(2S)-2-[[(2S,3R)-3-azanyl-2-hydroxy-4-(4-phenylmethoxyphenyl)butanoyl]amino]-4-methyl-pentanoic acid
FormulaC23 H30 N2 O5
Molecular Weight414.495
TypeNON-POLYMER
Isomeric SMILESCC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccc(cc1)OCc2ccccc2)N)O
InChIInChI=1S/C23H30N2O5/c1-15(2)12-20(23(28)29)25-22(27)21(26)19(24)13-16-8-10-18(11-9-16)30-14-17-6-4-3-5-7-17/h3-11,15,19-21,26H,12-14,24H2,1-2H3,(H,25,27)(H,28,29)/t19-,20+,21+/m1/s1
InChIKeyUUNNUENETDBNPB-HKBOAZHASA-N

Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count3
Bond Count61
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 72200381, 50919282
ChEMBL CHEMBL1614912