2-[[2-[(2-acetamido-4-methyl-pentanoyl)amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[2-[(2-acetamido-4-methyl-pentanoyl)amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-[(2-acetamido-4-methyl-pentanoyl)amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-[(2-acetamido-4-methyl-1-oxopentyl)amino]-4-methyl-1-oxopentyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-[(2-acetamido-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[2-[(2-acetamido-4-methyl-pentanoyl)amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C23H35N3O6 MolecularWeight: 449.5405

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C

InChI

InChI=1S/C23H35N3O6/c1-13(2)10-18(24-15(5)27)21(29)25-19(11-14(3)4)22(30)26-20(23(31)32)12-16-6-8-17(28)9-7-16/h6-9,13-14,18-20,28H,10-12H2,1-5H3,(H,24,27)(H,25,29)(H,26,30)(H,31,32)