2,3-bis(azanyl)-3-(2-azanyl-4-methyl-pentanoyl)-4,4-dimethyl-2-oxidanyl-5-oxidanylidene-8-phenyl-octanoic acid

Systemtic Name: 2,3-bis(azanyl)-3-(2-azanyl-4-methyl-pentanoyl)-4,4-dimethyl-2-oxidanyl-5-oxidanylidene-8-phenyl-octanoic acid Openeye Name: 2,3-diamino-3-(2-amino-4-methyl-pentanoyl)-2-hydroxy-4,4-dimethyl-5-oxo-8-phenyl-octanoic acid CAS Name: 2,3-diamino-3-(2-amino-4-methyl-1-oxopentyl)-2-hydroxy-4,4-dimethyl-5-oxo-8-phenyloctanoic acid IUPAC Name: 2,3-diamino-3-(2-amino-4-methylpentanoyl)-2-hydroxy-4,4-dimethyl-5-oxo-8-phenyloctanoic acid Traditional Name: 2,3-diamino-3-(2-amino-4-methyl-pentanoyl)-2-hydroxy-5-keto-4,4-dimethyl-8-phenyl-caprylic acid Formula: C22H35N3O5 MolecularWeight: 421.5304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(C(C)(C)C(=O)CCCC1=CC=CC=C1)(C(C(=O)O)(N)O)N)N

Isomeric SMILES

CC(C)CC(C(=O)C(C(C)(C)C(=O)CCCC1=CC=CC=C1)(C(C(=O)O)(N)O)N)N

InChI

InChI=1S/C22H35N3O5/c1-14(2)13-16(23)18(27)21(24,22(25,30)19(28)29)20(3,4)17(26)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,14,16,30H,8,11-13,23-25H2,1-4H3,(H,28,29)