(2S,3S)-2-azanyl-3-methyl-pentanoic acid; (2S)-2-azanyl-3-thiophen-2-yl-propanoic acid

Systemtic Name: (2S,3S)-2-azanyl-3-methyl-pentanoic acid; (2S)-2-azanyl-3-thiophen-2-yl-propanoic acid Openeye Name: (2S,3S)-2-amino-3-methyl-pentanoic acid; (2S)-2-amino-3-(2-thienyl)propanoic acid CAS Name: (2S,3S)-2-amino-3-methylpentanoic acid; (2S)-2-amino-3-thiophen-2-ylpropanoic acid IUPAC Name: (2S,3S)-2-amino-3-methylpentanoic acid; (2S)-2-amino-3-thiophen-2-ylpropanoic acid Traditional Name: (2S,3S)-2-amino-3-methyl-valeric acid; (2S)-2-amino-3-(2-thienyl)propionic acid Formula: C13H22N2O4S MolecularWeight: 302.38978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N.C1=CSC(=C1)CC(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C7H9NO2S.C6H13NO2/c8-6(7(9)10)4-5-2-1-3-11-5;1-3-4(2)5(7)6(8)9/h1-3,6H,4,8H2,(H,9,10);4-5H,3,7H2,1-2H3,(H,8,9)/t6-;4-,5-/m00/s1