(2S)-1-[(2S)-3-cyclohexyl-2-(2-piperazin-1-ylethanoylamino)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-3-cyclohexyl-2-(2-piperazin-1-ylethanoylamino)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-3-cyclohexyl-2-[(2-piperazin-1-ylacetyl)amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-3-cyclohexyl-1-oxo-2-[[1-oxo-2-(1-piperazinyl)ethyl]amino]propyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-3-cyclohexyl-2-[(2-piperazin-1-ylacetyl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-3-cyclohexyl-2-[(2-piperazinoacetyl)amino]propanoyl]proline Formula: C20H34N4O4 MolecularWeight: 394.50836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N2CCCC2C(=O)O)NC(=O)CN3CCNCC3

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N2CCC[C@H]2C(=O)O)NC(=O)CN3CCNCC3

InChI

InChI=1S/C20H34N4O4/c25-18(14-23-11-8-21-9-12-23)22-16(13-15-5-2-1-3-6-15)19(26)24-10-4-7-17(24)20(27)28/h15-17,21H,1-14H2,(H,22,25)(H,27,28)/t16-,17-/m0/s1