1-[6-azanyl-2-[[4-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-azanyl-2-[[4-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-amino-2-[[1-carboxy-3-(1H-imidazol-5-yl)propyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-amino-2-[[1-hydroxy-4-(1H-imidazol-5-yl)-1-oxobutan-2-yl]amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-amino-2-[[1-hydroxy-4-(1H-imidazol-5-yl)-1-oxobutan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-amino-2-[[1-carboxy-3-(1H-imidazol-5-yl)propyl]amino]hexanoyl]proline Formula: C18H29N5O5 MolecularWeight: 395.45336

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CN=CN2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CN=CN2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H29N5O5/c19-8-2-1-4-13(16(24)23-9-3-5-15(23)18(27)28)22-14(17(25)26)7-6-12-10-20-11-21-12/h10-11,13-15,22H,1-9,19H2,(H,20,21)(H,25,26)(H,27,28)