(2S,3S)-2-azanyl-3-methyl-pentanoic acid; 4-ethenylbenzenesulfonic acid

Systemtic Name: (2S,3S)-2-azanyl-3-methyl-pentanoic acid; 4-ethenylbenzenesulfonic acid Openeye Name: (2S,3S)-2-amino-3-methyl-pentanoic acid; 4-vinylbenzenesulfonic acid CAS Name: (2S,3S)-2-amino-3-methylpentanoic acid; 4-ethenylbenzenesulfonic acid IUPAC Name: (2S,3S)-2-amino-3-methylpentanoic acid; 4-ethenylbenzenesulfonic acid Traditional Name: (2S,3S)-2-amino-3-methyl-valeric acid; 4-vinylbesylic acid Formula: C14H21NO5S MolecularWeight: 315.38524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N.C=CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C8H8O3S.C6H13NO2/c1-2-7-3-5-8(6-4-7)12(9,10)11;1-3-4(2)5(7)6(8)9/h2-6H,1H2,(H,9,10,11);4-5H,3,7H2,1-2H3,(H,8,9)/t;4-,5-/m.0/s1