COc1cccc(CNC[C@@H](O)[C@@H](Cc2ccccc2)NC(=O)c2cc(C)cc(Br)c2)c1

Nombre: N-{(1R,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-3-bromo-5-methylbenzamide

IUPAC: 3-bromo-N-[(2R,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-5-methylbenzamide

SMILES: COc1cccc(CNC[C@@H](O)[C@@H](Cc2ccccc2)NC(=O)c2cc(C)cc(Br)c2)c1

Canonical SMILES: CC1=CC(=CC(=C1)Br)C(=O)NC(CC2=CC=CC=C2)C(CNCC3=CC(=CC=C3)OC)O

Fórmula molecular: C26H29BrN2O3

Masa molecular: 497.40

InChIKey: RJZWIZZIMAXCAW-JWQCQUIFSA-N

InChI:

InChI=1S/C26H29BrN2O3/c1-18-11-21(15-22(27)12-18)26(31)29-24(14-19-7-4-3-5-8-19)25(30)17-28-16-20-9-6-10-23(13-20)32-2/h3-13,15,24-25,28,30H,14,16-17H2,1-2H3,(H,29,31)/t24-,25-/m1/s1

PubChem CID: 68607071 →

Sinónimos

SCHEMBL3347394RJZWIZZIMAXCAW-JWQCQUIFSA-NN-{(1R,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-3-bromo-5-methylbenzamide

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