(2S)-1-[(2S)-5-azanyl-2-(2-piperazin-1-ylethanoylamino)pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-5-azanyl-2-(2-piperazin-1-ylethanoylamino)pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-5-amino-2-[(2-piperazin-1-ylacetyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-5-amino-1-oxo-2-[[1-oxo-2-(1-piperazinyl)ethyl]amino]pentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-5-amino-2-[(2-piperazin-1-ylacetyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-5-amino-2-[(2-piperazinoacetyl)amino]pentanoyl]proline Formula: C16H29N5O4 MolecularWeight: 355.43256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29N5O4/c17-5-1-3-12(15(23)21-8-2-4-13(21)16(24)25)19-14(22)11-20-9-6-18-7-10-20/h12-13,18H,1-11,17H2,(H,19,22)(H,24,25)/t12-,13-/m0/s1