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

Systemtic Name: (2S)-2-[[3-azanyl-4-(4-hydroxyphenyl)-2-oxidanyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[3-amino-2-hydroxy-4-(4-hydroxyphenyl)-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-4-methyl-valeric acid Formula: C16H24N2O5 MolecularWeight: 324.37216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C(C(CC1=CC=C(C=C1)O)N)O

InChI

InChI=1S/C16H24N2O5/c1-9(2)7-13(16(22)23)18-15(21)14(20)12(17)8-10-3-5-11(19)6-4-10/h3-6,9,12-14,19-20H,7-8,17H2,1-2H3,(H,18,21)(H,22,23)/t12?,13-,14?/m0/s1