2-acetamido-5-azanyl-2-(2-azanyl-4-methyl-pentanoyl)-7-methyl-4-oxidanylidene-3-propyl-octanoic acid

Systemtic Name: 2-acetamido-5-azanyl-2-(2-azanyl-4-methyl-pentanoyl)-7-methyl-4-oxidanylidene-3-propyl-octanoic acid Openeye Name: 2-acetamido-5-amino-2-(2-amino-4-methyl-pentanoyl)-7-methyl-4-oxo-3-propyl-octanoic acid CAS Name: 2-acetamido-5-amino-2-(2-amino-4-methyl-1-oxopentyl)-7-methyl-4-oxo-3-propyloctanoic acid IUPAC Name: 2-acetamido-5-amino-2-(2-amino-4-methylpentanoyl)-7-methyl-4-oxo-3-propyloctanoic acid Traditional Name: 2-acetamido-5-amino-2-(2-amino-4-methyl-pentanoyl)-4-keto-7-methyl-3-propyl-caprylic acid Formula: C20H37N3O5 MolecularWeight: 399.52488

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(CC(C)C)N)C(C(=O)C(CC(C)C)N)(C(=O)O)NC(=O)C

Isomeric SMILES

CCCC(C(=O)C(CC(C)C)N)C(C(=O)C(CC(C)C)N)(C(=O)O)NC(=O)C

InChI

InChI=1S/C20H37N3O5/c1-7-8-14(17(25)15(21)9-11(2)3)20(19(27)28,23-13(6)24)18(26)16(22)10-12(4)5/h11-12,14-16H,7-10,21-22H2,1-6H3,(H,23,24)(H,27,28)