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Nom: (2S)-2-(acetylamino)-N-[(1S)-1-benzyl-2-({(1R)-2-cyclobutyl-1-[(3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborol-2-yl]ethyl}amino)-2-oxoethyl]-4-phenylbutanamide

IUPAC: (2S)-2-acetamido-N-[(2S)-1-[[(1R)-2-cyclobutyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide

SMILES: CC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCC1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1

Canonical SMILES: B1(OC2CC3CC(C3(C)C)C2(O1)C)C(CC4CCC4)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CCC6=CC=CC=C6)NC(=O)C

Formule moléculaire: C37H50BN3O5

Masse molaire: 627.60

InChIKey: HONWZEKUCYOJHW-WMBYNTSQSA-N

InChI: InChI=1S/C37H50BN3O5/c1-24(42)39-29(19-18-25-12-7-5-8-13-25)34(43)40-30(20-26-14-9-6-10-15-26)35(44)41-33(21-27-16-11-17-27)38-45-32-23-28-22-31(36(28,2)3)37(32,4)46-38/h5-10,12-15,27-33H,11,16-23H2,1-4H3,(H,39,42)(H,40,43)(H,41,44)/t28-,29-,30-,31-,32+,33-,37-/m0/s1

PubChem CID: 68526470 →

Synonymes

SCHEMBL3140881HONWZEKUCYOJHW-WMBYNTSQSA-N(2S)-2-(acetylamino)-N-[(1S)-1-benzyl-2-({(1R)-2-cyclobutyl-1-[(3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborol-2-yl]ethyl}amino)-2-oxoethyl]-4-phenylbutanamide

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→