CC1(C)[C@@H]2C[C@H]3OB([C@H](CC4CCC4)NC(=O)[C@@H](N)Cc4ccccc4)O[C@@]3(C)[C@H]1C2

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

IUPAC: (2S)-2-amino-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]-3-phenylpropanamide

SMILES: CC1(C)[C@@H]2C[C@H]3OB([C@H](CC4CCC4)NC(=O)[C@@H](N)Cc4ccccc4)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)N

Formule moléculaire: C25H37BN2O3

Masse molaire: 424.40

InChIKey: YVWHSSYBKWNXGE-ZTADCWEZSA-N

InChI:

InChI=1S/C25H37BN2O3/c1-24(2)18-14-20(24)25(3)21(15-18)30-26(31-25)22(13-17-10-7-11-17)28-23(29)19(27)12-16-8-5-4-6-9-16/h4-6,8-9,17-22H,7,10-15,27H2,1-3H3,(H,28,29)/t18-,19-,20-,21+,22-,25-/m0/s1

PubChem CID: 68524856 →

Synonymes

SCHEMBL3136345YVWHSSYBKWNXGE-ZTADCWEZSA-N(2S)-2-amino-N-{(1R)-2-cyclobutyl-1-[(3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborol-2-yl]ethyl}-3-phenylpropanamide

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