(2S)-1-[(2S)-6-azanyl-2-(2-piperazin-1-ylethanoylamino)hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-6-azanyl-2-(2-piperazin-1-ylethanoylamino)hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-6-amino-2-[(2-piperazin-1-ylacetyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-6-amino-1-oxo-2-[[1-oxo-2-(1-piperazinyl)ethyl]amino]hexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-6-amino-2-[(2-piperazin-1-ylacetyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-6-amino-2-[(2-piperazinoacetyl)amino]hexanoyl]proline Formula: C17H31N5O4 MolecularWeight: 369.45914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(=O)CN2CCNCC2)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCCCN)NC(=O)CN2CCNCC2)C(=O)O

InChI

InChI=1S/C17H31N5O4/c18-6-2-1-4-13(16(24)22-9-3-5-14(22)17(25)26)20-15(23)12-21-10-7-19-8-11-21/h13-14,19H,1-12,18H2,(H,20,23)(H,25,26)/t13-,14-/m0/s1