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

Systemtic Name: 3-[[1-(4-azanylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: 3-[[2-(4-aminobutylamino)-1-benzyl-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: 3-[[[1-(4-aminobutylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[[1-(4-aminobutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: 3-[[2-(4-aminobutylamino)-1-benzyl-2-keto-ethyl]carbamoyl]oxirane-2-carboxylic acid Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5/c18-8-4-5-9-19-15(21)12(10-11-6-2-1-3-7-11)20-16(22)13-14(25-13)17(23)24/h1-3,6-7,12-14H,4-5,8-10,18H2,(H,19,21)(H,20,22)(H,23,24)