2,5-bis(azanyl)-2,3,3-tris(2-azanylpropanoyl)-7-methyl-4-oxidanylidene-octanoic acid

Systemtic Name: 2,5-bis(azanyl)-2,3,3-tris(2-azanylpropanoyl)-7-methyl-4-oxidanylidene-octanoic acid Openeye Name: 2,5-diamino-2,3,3-tris(2-aminopropanoyl)-7-methyl-4-oxo-octanoic acid CAS Name: 2,5-diamino-2,3,3-tris(2-amino-1-oxopropyl)-7-methyl-4-oxooctanoic acid IUPAC Name: 2,5-diamino-2,3,3-tris(2-aminopropanoyl)-7-methyl-4-oxooctanoic acid Traditional Name: 2,3,3-trialanyl-2,5-diamino-4-keto-7-methyl-caprylic acid Formula: C18H33N5O6 MolecularWeight: 415.48452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33N5O6/c1-7(2)6-11(22)15(27)17(12(24)8(3)19,13(25)9(4)20)18(23,16(28)29)14(26)10(5)21/h7-11H,6,19-23H2,1-5H3,(H,28,29)