(2S)-2-azanyl-4-methyl-pentanoic acid; (2S)-2-azanyl-4-methylsulfanyl-butanoic acid; (2S)-2-azanyl-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-azanyl-4-methyl-pentanoic acid; (2S)-2-azanyl-4-methylsulfanyl-butanoic acid; (2S)-2-azanyl-3-phenyl-propanoic acid Openeye Name: (2S)-2-amino-4-methyl-pentanoic acid; (2S)-2-amino-4-methylsulfanyl-butanoic acid; (2S)-2-amino-3-phenyl-propanoic acid CAS Name: (2S)-2-amino-4-methylpentanoic acid; (2S)-2-amino-4-(methylthio)butanoic acid; (2S)-2-amino-3-phenylpropanoic acid IUPAC Name: (2S)-2-amino-4-methylpentanoic acid; (2S)-2-amino-4-methylsulfanylbutanoic acid; (2S)-2-amino-3-phenylpropanoic acid Traditional Name: (2S)-2-amino-4-(methylthio)butyric acid; (2S)-2-amino-4-methyl-valeric acid; (2S)-2-amino-3-phenyl-propionic acid Formula: C20H35N3O6S MolecularWeight: 445.5734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N.CSCCC(C(=O)O)N.C1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2.C6H13NO2.C5H11NO2S/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-4(2)3-5(7)6(8)9;1-9-3-2-4(6)5(7)8/h1-5,8H,6,10H2,(H,11,12);4-5H,3,7H2,1-2H3,(H,8,9);4H,2-3,6H2,1H3,(H,7,8)/t8-;5-;4-/m000/s1