3-[2,4-bis(azanyl)-2-(3-azanylpropyl)-6-methyl-3-oxidanylidene-heptanoyl]aziridine-2-carboxylic acid

Systemtic Name: 3-[2,4-bis(azanyl)-2-(3-azanylpropyl)-6-methyl-3-oxidanylidene-heptanoyl]aziridine-2-carboxylic acid Openeye Name: 3-[2,4-diamino-2-(3-aminopropyl)-6-methyl-3-oxo-heptanoyl]aziridine-2-carboxylic acid CAS Name: 3-[2,4-diamino-2-(3-aminopropyl)-6-methyl-1,3-dioxoheptyl]-2-aziridinecarboxylic acid IUPAC Name: 3-[2,4-diamino-2-(3-aminopropyl)-6-methyl-3-oxoheptanoyl]aziridine-2-carboxylic acid Traditional Name: 3-[2,4-diamino-2-(3-aminopropyl)-3-keto-6-methyl-heptanoyl]ethylenimine-2-carboxylic acid Formula: C14H26N4O4 MolecularWeight: 314.38064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(CCCN)(C(=O)C1C(N1)C(=O)O)N)N

Isomeric SMILES

CC(C)CC(C(=O)C(CCCN)(C(=O)C1C(N1)C(=O)O)N)N

InChI

InChI=1S/C14H26N4O4/c1-7(2)6-8(16)11(19)14(17,4-3-5-15)12(20)9-10(18-9)13(21)22/h7-10,18H,3-6,15-17H2,1-2H3,(H,21,22)