2-[[3-azanyl-4-(4-butylphenyl)-2-oxidanyl-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-azanyl-4-(4-butylphenyl)-2-oxidanyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-amino-4-(4-butylphenyl)-2-hydroxy-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-amino-4-(4-butylphenyl)-2-hydroxy-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-amino-4-(4-butylphenyl)-2-hydroxybutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[3-amino-4-(4-butylphenyl)-2-hydroxy-butanoyl]amino]-4-methyl-valeric acid Formula: C20H32N2O4 MolecularWeight: 364.47908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(C(C(=O)NC(CC(C)C)C(=O)O)O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(C(C(=O)NC(CC(C)C)C(=O)O)O)N

InChI

InChI=1S/C20H32N2O4/c1-4-5-6-14-7-9-15(10-8-14)12-16(21)18(23)19(24)22-17(20(25)26)11-13(2)3/h7-10,13,16-18,23H,4-6,11-12,21H2,1-3H3,(H,22,24)(H,25,26)