(2S,3R)-3-[2-methoxyethoxycarbonyl(phenethyl)carbamoyl]-2,5-dimethyl-hexanoic acid

Systemtic Name: (2S,3R)-3-[2-methoxyethoxycarbonyl(phenethyl)carbamoyl]-2,5-dimethyl-hexanoic acid Openeye Name: (2S,3R)-3-[2-methoxyethoxycarbonyl(phenethyl)carbamoyl]-2,5-dimethyl-hexanoic acid CAS Name: (2S,3R)-3-[[[2-methoxyethoxy(oxo)methyl]-phenethylamino]-oxomethyl]-2,5-dimethylhexanoic acid IUPAC Name: (2S,3R)-3-[2-methoxyethoxycarbonyl(phenethyl)carbamoyl]-2,5-dimethylhexanoic acid Traditional Name: (2S,3R)-3-[2-methoxyethoxycarbonyl(phenethyl)carbamoyl]-2,5-dimethyl-hexanoic acid Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C)C(=O)O)C(=O)N(CCC1=CC=CC=C1)C(=O)OCCOC

Isomeric SMILES

C[C@@H]([C@@H](CC(C)C)C(=O)N(CCC1=CC=CC=C1)C(=O)OCCOC)C(=O)O

InChI

InChI=1S/C21H31NO6/c1-15(2)14-18(16(3)20(24)25)19(23)22(21(26)28-13-12-27-4)11-10-17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3,(H,24,25)/t16-,18+/m0/s1