(2S)-1-[(2S)-2-[[(2S)-2-[[3,3-bis(fluoranyl)-2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-2-[[3,3-bis(fluoranyl)-2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[[(2S)-2-[[2-(benzyloxycarbonylamino)-3,3-difluoro-2-methyl-propanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-[[3,3-difluoro-2-methyl-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-oxopropyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[3,3-difluoro-2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-[[2-(benzyloxycarbonylamino)-3,3-difluoro-2-methyl-propanoyl]amino]propanoyl]amino]propanoyl]proline Formula: C23H30F2N4O7 MolecularWeight: 512.503706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)O)NC(=O)C(C)(C(F)F)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)C(C)(C(F)F)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H30F2N4O7/c1-13(17(30)26-14(2)18(31)29-11-7-10-16(29)19(32)33)27-21(34)23(3,20(24)25)28-22(35)36-12-15-8-5-4-6-9-15/h4-6,8-9,13-14,16,20H,7,10-12H2,1-3H3,(H,26,30)(H,27,34)(H,28,35)(H,32,33)/t13-,14-,16-,23?/m0/s1