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

Systemtic Name: 3-[[1-(4-azanylbutylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: 3-[[1-(4-aminobutylcarbamoyl)-3-methyl-butyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: 3-[[[1-(4-aminobutylamino)-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: 3-[[1-(4-aminobutylamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: 3-[[1-(4-aminobutylcarbamoyl)-3-methyl-butyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C14H26N4O4 MolecularWeight: 314.38064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H26N4O4/c1-8(2)7-9(12(19)16-6-4-3-5-15)17-13(20)10-11(18-10)14(21)22/h8-11,18H,3-7,15H2,1-2H3,(H,16,19)(H,17,20)(H,21,22)