3-[[1-[2-(2-azanylethylamino)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: 3-[[1-[2-(2-azanylethylamino)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: 3-[[2-[2-(2-aminoethylamino)ethylamino]-1-benzyl-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: 3-[[[1-[2-(2-aminoethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[[1-[2-(2-aminoethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: 3-[[2-[2-(2-aminoethylamino)ethylamino]-1-benzyl-2-keto-ethyl]carbamoyl]oxirane-2-carboxylic acid Formula: C17H24N4O5 MolecularWeight: 364.39626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O5/c18-6-7-19-8-9-20-15(22)12(10-11-4-2-1-3-5-11)21-16(23)13-14(26-13)17(24)25/h1-5,12-14,19H,6-10,18H2,(H,20,22)(H,21,23)(H,24,25)