(2S)-2-[cyclohexyl(phenylmethoxycarbonyl)amino]propanoic acid; 3,5-dimethylpyrazol-2-ide

Systemtic Name: (2S)-2-[cyclohexyl(phenylmethoxycarbonyl)amino]propanoic acid; 3,5-dimethylpyrazol-2-ide Openeye Name: (2S)-2-[benzyloxycarbonyl(cyclohexyl)amino]propanoic acid; 3,5-dimethylpyrazol-2-ide CAS Name: (2S)-2-[cyclohexyl(phenylmethoxycarbonyl)amino]propanoic acid; 3,5-dimethylpyrazol-2-ide IUPAC Name: (2S)-2-[cyclohexyl(phenylmethoxycarbonyl)amino]propanoic acid; 3,5-dimethylpyrazol-2-ide Traditional Name: (2S)-2-[carbobenzoxy(cyclohexyl)amino]propionic acid; 3,5-dimethylpyrazol-2-ide Formula: C22H30N3O4- MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=N[N-]1)C.CC(C(=O)O)N(C1CCCCC1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=N[N-]1)C.C[C@@H](C(=O)O)N(C1CCCCC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H23NO4.C5H7N2/c1-13(16(19)20)18(15-10-6-3-7-11-15)17(21)22-12-14-8-4-2-5-9-14;1-4-3-5(2)7-6-4/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,19,20);3H,1-2H3/q;-1/t13-;/m0./s1