(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid; (2S)-2-azanyl-4-methyl-pentanamide

Systemtic Name: (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid; (2S)-2-azanyl-4-methyl-pentanamide Openeye Name: (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid; (2S)-2-amino-4-methyl-pentanamide CAS Name: (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid; (2S)-2-amino-4-methylpentanamide IUPAC Name: (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid; (2S)-2-amino-4-methylpentanamide Traditional Name: (2S)-2-acetamido-3-(4-hydroxyphenyl)propionic acid; (2S)-2-amino-4-methyl-valeramide Formula: C17H27N3O5 MolecularWeight: 353.41338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4.C6H14N2O/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8;1-4(2)3-5(7)6(8)9/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16);4-5H,3,7H2,1-2H3,(H2,8,9)/t10-;5-/m00/s1