3-[[1-(4-azanylbutylamino)-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: 3-[[1-(4-azanylbutylamino)-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: 3-[[2-(4-aminobutylamino)-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: 3-[[[1-(4-aminobutylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[[1-(4-aminobutylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: 3-[[2-(4-aminobutylamino)-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]oxirane-2-carboxylic acid Formula: C14H21N5O5 MolecularWeight: 339.34704

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)NCCCCN)NC(=O)C2C(O2)C(=O)O

Isomeric SMILES

C1=C(NC=N1)CC(C(=O)NCCCCN)NC(=O)C2C(O2)C(=O)O

InChI

InChI=1S/C14H21N5O5/c15-3-1-2-4-17-12(20)9(5-8-6-16-7-18-8)19-13(21)10-11(24-10)14(22)23/h6-7,9-11H,1-5,15H2,(H,16,18)(H,17,20)(H,19,21)(H,22,23)