(2S,4R)-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-4-phenylmethoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-4-phenylmethoxy-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-benzyloxy-1-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-4-phenylmethoxy-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-4-benzoxy-1-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]proline Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC(CC1C(=O)O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O6/c1-17(2)22(26-25(31)33-16-19-11-7-4-8-12-19)23(28)27-14-20(13-21(27)24(29)30)32-15-18-9-5-3-6-10-18/h3-12,17,20-22H,13-16H2,1-2H3,(H,26,31)(H,29,30)/t20-,21+,22+/m1/s1