Chemical Component Summary

NamePHENYLMETHYLENECARBOXY-(METHYLENEAMINO-FORMYL-DIPHENYLMETHYL)METHY-PRO-BOROVAL
Identifiers[(1R)-1-[[1-[(2R)-3,3-diphenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrol-2-yl]carbonylamino]-2-methyl-propyl]boronic acid
FormulaC32 H34 B N3 O6
Molecular Weight567.44
TypePEPTIDE-LIKE
Isomeric SMILESB([C@H](C(C)C)NC(=O)c1cccn1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)(O)O
InChIInChI=1S/C32H34BN3O6/c1-22(2)29(33(40)41)35-30(37)26-19-12-20-36(26)31(38)28(34-32(39)42-21-23-13-6-3-7-14-23)27(24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-20,22,27-29,40-41H,21H2,1-2H3,(H,34,39)(H,35,37)/t28-,29+/m1/s1
InChIKeyHDJOUHBCHJHXKC-WDYNHAJCSA-N

Chemical Details

Formal Charge0
Atom Count76
Chiral Atom Count2
Bond Count79
Aromatic Bond Count23

Related Resource References

Resource NameReference
PubChem 5289425