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

Systemtic Name: 2-[[3-azanyl-4-(3-ethoxyphenyl)-2-oxidanyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-amino-4-(3-ethoxyphenyl)-2-hydroxy-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-amino-4-(3-ethoxyphenyl)-2-hydroxy-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-amino-4-(3-ethoxyphenyl)-2-hydroxybutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[(3-amino-2-hydroxy-4-m-phenetyl-butanoyl)amino]-4-methyl-valeric acid Formula: C18H28N2O5 MolecularWeight: 352.42532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CC(C(C(=O)NC(CC(C)C)C(=O)O)O)N

Isomeric SMILES

CCOC1=CC=CC(=C1)CC(C(C(=O)NC(CC(C)C)C(=O)O)O)N

InChI

InChI=1S/C18H28N2O5/c1-4-25-13-7-5-6-12(9-13)10-14(19)16(21)17(22)20-15(18(23)24)8-11(2)3/h5-7,9,11,14-16,21H,4,8,10,19H2,1-3H3,(H,20,22)(H,23,24)