2-azanyl-3-[2-(2-azanyl-4-methylsulfanyl-butanoyl)-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(2-azanyl-4-methylsulfanyl-butanoyl)-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[2-(2-amino-4-methylsulfanyl-butanoyl)-4-hydroxy-phenyl]propanoic acid CAS Name: 2-amino-3-[2-[2-amino-4-(methylthio)-1-oxobutyl]-4-hydroxyphenyl]propanoic acid IUPAC Name: 2-amino-3-[2-(2-amino-4-methylsulfanylbutanoyl)-4-hydroxyphenyl]propanoic acid Traditional Name: 2-amino-3-[2-[2-amino-4-(methylthio)butanoyl]-4-hydroxy-phenyl]propionic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-21-5-4-11(15)13(18)10-7-9(17)3-2-8(10)6-12(16)14(19)20/h2-3,7,11-12,17H,4-6,15-16H2,1H3,(H,19,20)