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

Systemtic Name: 3-[[1-(4-azanylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: 3-[[2-(4-aminobutylamino)-1-benzyl-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: 3-[[[1-(4-aminobutylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: 3-[[1-(4-aminobutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: 3-[[2-(4-aminobutylamino)-1-benzyl-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C17H24N4O4 MolecularWeight: 348.39686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCCCN)NC(=O)C2C(N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCCCCN)NC(=O)C2C(N2)C(=O)O

InChI

InChI=1S/C17H24N4O4/c18-8-4-5-9-19-15(22)12(10-11-6-2-1-3-7-11)20-16(23)13-14(21-13)17(24)25/h1-3,6-7,12-14,21H,4-5,8-10,18H2,(H,19,22)(H,20,23)(H,24,25)