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Name: (2S)-2-amino-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-amino-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: CC1(C)[C@@H]2C[C@H]3OB([C@H](CC4CCC4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](N)CCc4ccccc4)O[C@@]3(C)[C@H]1C2

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)N

Summenformel: C35H48BN3O4

Molare Masse: 585.60

InChIKey: KNCSALMLRMHIBE-KMOCFGSBSA-N

InChI: InChI=1S/C35H48BN3O4/c1-34(2)26-21-29(34)35(3)30(22-26)42-36(43-35)31(20-25-15-10-16-25)39-33(41)28(19-24-13-8-5-9-14-24)38-32(40)27(37)18-17-23-11-6-4-7-12-23/h4-9,11-14,25-31H,10,15-22,37H2,1-3H3,(H,38,40)(H,39,41)/t26-,27-,28-,29-,30+,31-,35-/m0/s1

PubChem CID: 68527816 →

Synonyme

KNCSALMLRMHIBE-KMOCFGSBSA-N(2S)-2-amino-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

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