2,5-bis(azanyl)-3-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-methyl-pentanoyl)-3-(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)oxy-7-methyl-4-oxidanylidene-octanoic acid

Systemtic Name: 2,5-bis(azanyl)-3-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-methyl-pentanoyl)-3-(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)oxy-7-methyl-4-oxidanylidene-octanoic acid Openeye Name: 2,5-diamino-3-(2-amino-5-hydroxy-5-oxo-pentanoyl)oxy-3-(2-amino-3-methyl-butanoyl)-2-(2-amino-3-methyl-pentanoyl)-7-methyl-4-oxo-octanoic acid CAS Name: 2,5-diamino-3-(2-amino-5-hydroxy-1,5-dioxopentoxy)-3-(2-amino-3-methyl-1-oxobutyl)-2-(2-amino-3-methyl-1-oxopentyl)-7-methyl-4-oxooctanoic acid IUPAC Name: 2,5-diamino-3-(2-amino-5-hydroxy-5-oxopentanoyl)oxy-3-(2-amino-3-methylbutanoyl)-2-(2-amino-3-methylpentanoyl)-7-methyl-4-oxooctanoic acid Traditional Name: 2,5-diamino-3-(2-amino-5-hydroxy-5-keto-pentanoyl)oxy-3-(2-amino-3-methyl-butanoyl)-2-(2-amino-3-methyl-pentanoyl)-4-keto-7-methyl-caprylic acid Formula: C25H45N5O9 MolecularWeight: 559.6529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H45N5O9/c1-7-13(6)18(29)20(34)24(30,23(37)38)25(21(35)17(28)12(4)5,19(33)15(27)10-11(2)3)39-22(36)14(26)8-9-16(31)32/h11-15,17-18H,7-10,26-30H2,1-6H3,(H,31,32)(H,37,38)