2,5-bis(azanyl)-3-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-methyl-pentanoyl)-6-methyl-4-oxidanylidene-octanoic acid

Systemtic Name: 2,5-bis(azanyl)-3-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-methyl-pentanoyl)-6-methyl-4-oxidanylidene-octanoic acid Openeye Name: 2,5-diamino-3-(2-amino-3-methyl-butanoyl)-2-(2-amino-3-methyl-pentanoyl)-6-methyl-4-oxo-octanoic acid CAS Name: 2,5-diamino-3-(2-amino-3-methyl-1-oxobutyl)-2-(2-amino-3-methyl-1-oxopentyl)-6-methyl-4-oxooctanoic acid IUPAC Name: 2,5-diamino-3-(2-amino-3-methylbutanoyl)-2-(2-amino-3-methylpentanoyl)-6-methyl-4-oxooctanoic acid Traditional Name: 2,5-diamino-3-(2-amino-3-methyl-butanoyl)-2-(2-amino-3-methyl-pentanoyl)-4-keto-6-methyl-caprylic acid Formula: C20H38N4O5 MolecularWeight: 414.53952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C(C(=O)C(C(C)C)N)C(C(=O)C(C(C)CC)N)(C(=O)O)N)N

Isomeric SMILES

CCC(C)C(C(=O)C(C(=O)C(C(C)C)N)C(C(=O)C(C(C)CC)N)(C(=O)O)N)N

InChI

InChI=1S/C20H38N4O5/c1-7-10(5)14(22)17(26)12(16(25)13(21)9(3)4)20(24,19(28)29)18(27)15(23)11(6)8-2/h9-15H,7-8,21-24H2,1-6H3,(H,28,29)