3-[[1-(3-methoxypropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]aziridine-2-carboxylic acid

Systemtic Name: 3-[[1-(3-methoxypropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: 3-[[1-(3-methoxypropylcarbamoyl)-3-methyl-butyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: 3-[[[1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: 3-[[1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: 3-[[1-(3-methoxypropylcarbamoyl)-3-methyl-butyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C14H25N3O5 MolecularWeight: 315.3654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCOC)NC(=O)C1C(N1)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)NCCCOC)NC(=O)C1C(N1)C(=O)O

InChI

InChI=1S/C14H25N3O5/c1-8(2)7-9(12(18)15-5-4-6-22-3)16-13(19)10-11(17-10)14(20)21/h8-11,17H,4-7H2,1-3H3,(H,15,18)(H,16,19)(H,20,21)