(2S)-1-[(2S,3S)-3-methyl-2-(2-piperazin-1-ylethanoylamino)pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S,3S)-3-methyl-2-(2-piperazin-1-ylethanoylamino)pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S,3S)-3-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S,3S)-3-methyl-1-oxo-2-[[1-oxo-2-(1-piperazinyl)ethyl]amino]pentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S,3S)-3-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S,3S)-3-methyl-2-[(2-piperazinoacetyl)amino]pentanoyl]proline Formula: C17H30N4O4 MolecularWeight: 354.4445

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)CN2CCNCC2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)CN2CCNCC2

InChI

InChI=1S/C17H30N4O4/c1-3-12(2)15(16(23)21-8-4-5-13(21)17(24)25)19-14(22)11-20-9-6-18-7-10-20/h12-13,15,18H,3-11H2,1-2H3,(H,19,22)(H,24,25)/t12-,13-,15-/m0/s1