3-[[1-(5-azanylpentylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: 3-[[1-(5-azanylpentylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: 3-[[2-(5-aminopentylamino)-1-benzyl-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: 3-[[[1-(5-aminopentylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[[1-(5-aminopentylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: 3-[[2-(5-aminopentylamino)-1-benzyl-2-keto-ethyl]carbamoyl]oxirane-2-carboxylic acid Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5/c19-9-5-2-6-10-20-16(22)13(11-12-7-3-1-4-8-12)21-17(23)14-15(26-14)18(24)25/h1,3-4,7-8,13-15H,2,5-6,9-11,19H2,(H,20,22)(H,21,23)(H,24,25)