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

Systemtic Name: (2S,4R)-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]-4-hydroxy-proline Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O6/c1-11(2)15(16(22)20-9-13(21)8-14(20)17(23)24)19-18(25)26-10-12-6-4-3-5-7-12/h3-7,11,13-15,21H,8-10H2,1-2H3,(H,19,25)(H,23,24)/t13-,14+,15+/m1/s1