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Name: (25)-N-{(1R)-2-cyclobutyl-1-[(3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborol-2-yl]ethyl}-2-{[(6-phenoxypyridin-3-yl)sulfonyl]amino}-3-phenylpropanamide

IUPAC: (2S)-N-[(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]-2-[(6-phenoxy-3-pyridinyl)sulfonylamino]-3-phenylpropanamide

SMILES: CC1(C)[C@@H]2C[C@H]3OB([C@H](CC4CCC4)NC(=O)[C@H](Cc4ccccc4)NS(=O)(=O)c4ccc(Oc5ccccc5)nc4)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)NS(=O)(=O)C6=CN=C(C=C6)OC7=CC=CC=C7

Summenformel: C36H44BN3O6S

Molare Masse: 657.60

InChIKey: YYPHQPHXFBFLIA-ITYMXCGSSA-N

InChI: InChI=1S/C36H44BN3O6S/c1-35(2)26-21-30(35)36(3)31(22-26)45-37(46-36)32(20-25-13-10-14-25)39-34(41)29(19-24-11-6-4-7-12-24)40-47(42,43)28-17-18-33(38-23-28)44-27-15-8-5-9-16-27/h4-9,11-12,15-18,23,25-26,29-32,40H,10,13-14,19-22H2,1-3H3,(H,39,41)/t26-,29-,30-,31+,32-,36-/m0/s1

PubChem CID: 68527475 →

Synonyme

SCHEMBL3143575YYPHQPHXFBFLIA-ITYMXCGSSA-N(25)-N-{(1R)-2-cyclobutyl-1-[(3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborol-2-yl]ethyl}-2-{[(6-phenoxypyridin-3-yl)sulfonyl]amino}-3-phenylpropanamide(2S)-N-{(1R)-2-cyclobutyl-1-[(3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborol-2-yl]-ethyl}-2-{[(6-phenoxypyridin-3-yl)sulfonyl]amino}-3-phenylpropanamide(2S)-N-{(1R)-2-cyclobutyl-1-[(3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborol-2-yl]ethyl}-2-{[(6-phenoxypyridin-3-yl)sulfonyl]amino}-3-phenylpropanamide

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