[(2S,3R)-4-[2-methylpropyl(phenylmethoxycarbonyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]azanium

Systemtic Name: [(2S,3R)-4-[2-methylpropyl(phenylmethoxycarbonyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]azanium Openeye Name: [(1S,2R)-1-benzyl-3-[benzyloxycarbonyl(isobutyl)amino]-2-hydroxy-propyl]ammonium CAS Name: [(2S,3R)-3-hydroxy-4-[2-methylpropyl(phenylmethoxycarbonyl)amino]-1-phenylbutan-2-yl]ammonium IUPAC Name: [(2S,3R)-3-hydroxy-4-[2-methylpropyl(phenylmethoxycarbonyl)amino]-1-phenylbutan-2-yl]azanium Traditional Name: [(1S,2R)-1-benzyl-3-[carbobenzoxy(isobutyl)amino]-2-hydroxy-propyl]ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)[NH3+])O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)[NH3+])O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H30N2O3/c1-17(2)14-24(22(26)27-16-19-11-7-4-8-12-19)15-21(25)20(23)13-18-9-5-3-6-10-18/h3-12,17,20-21,25H,13-16,23H2,1-2H3/p+1/t20-,21+/m0/s1