3-[[1-[3-(4-azanylbutylamino)propylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: 3-[[1-[3-(4-azanylbutylamino)propylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: 3-[[2-[3-(4-aminobutylamino)propylamino]-1-benzyl-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: 3-[[[1-[3-(4-aminobutylamino)propylamino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[[1-[3-(4-aminobutylamino)propylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: 3-[[2-[3-(4-aminobutylamino)propylamino]-1-benzyl-2-keto-ethyl]carbamoyl]oxirane-2-carboxylic acid Formula: C20H30N4O5 MolecularWeight: 406.476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCCNCCCCN)NC(=O)C2C(O2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCCCNCCCCN)NC(=O)C2C(O2)C(=O)O

InChI

InChI=1S/C20H30N4O5/c21-9-4-5-10-22-11-6-12-23-18(25)15(13-14-7-2-1-3-8-14)24-19(26)16-17(29-16)20(27)28/h1-3,7-8,15-17,22H,4-6,9-13,21H2,(H,23,25)(H,24,26)(H,27,28)