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

Systemtic Name: 2-[[3-azanyl-4-(4-ethylphenyl)-2-oxidanyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-amino-4-(4-ethylphenyl)-2-hydroxy-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-amino-4-(4-ethylphenyl)-2-hydroxy-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-amino-4-(4-ethylphenyl)-2-hydroxybutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[3-amino-4-(4-ethylphenyl)-2-hydroxy-butanoyl]amino]-4-methyl-valeric acid Formula: C18H28N2O4 MolecularWeight: 336.42592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC(C(C(=O)NC(CC(C)C)C(=O)O)O)N

Isomeric SMILES

CCC1=CC=C(C=C1)CC(C(C(=O)NC(CC(C)C)C(=O)O)O)N

InChI

InChI=1S/C18H28N2O4/c1-4-12-5-7-13(8-6-12)10-14(19)16(21)17(22)20-15(18(23)24)9-11(2)3/h5-8,11,14-16,21H,4,9-10,19H2,1-3H3,(H,20,22)(H,23,24)