GGW

methyl [(1S,4S,5S,7S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate


Toggle HydrogenToggle Labels

Chemical Component Summary

Namemethyl [(1S,4S,5S,7S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate
Identifiersmethyl N-[(2S)-1-[[(2S,4S,5S)-4-hydroxy-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-6-phenyl-1-(4-pyridin-2-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
FormulaC39 H53 N5 O7
Molecular Weight703.867
TypeNON-POLYMER
Isomeric SMILESCC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)c2ccccn2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC
InChIInChI=1S/C39H53N5O7/c1-38(2,3)32(43-36(48)50-7)34(46)41-28(22-26-17-19-27(20-18-26)29-16-12-13-21-40-29)24-31(45)30(23-25-14-10-9-11-15-25)42-35(47)33(39(4,5)6)44-37(49)51-8/h9-21,28,30-33,45H,22-24H2,1-8H3,(H,41,46)(H,42,47)(H,43,48)(H,44,49)/t28-,30-,31-,32+,33+/m0/s1
InChIKeyGFEQPJLSPPMUEG-VYIXFUBHSA-N

Chemical Details

Formal Charge0
Atom Count104
Chiral Atom Count5
Bond Count106
Aromatic Bond Count19

Related Resource References

Resource NameReference
PubChem 11181604