2-azanyl-4-methylsulfanyl-butanoic acid; 2-azanyl-3-oxidanyl-propanoic acid; 2-azanyl-3-phenyl-propanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-butanoic acid; 2-azanyl-3-oxidanyl-propanoic acid; 2-azanyl-3-phenyl-propanoic acid Openeye Name: 2-amino-3-hydroxy-propanoic acid; 2-amino-4-methylsulfanyl-butanoic acid; 2-amino-3-phenyl-propanoic acid CAS Name: 2-amino-3-hydroxypropanoic acid; 2-amino-4-(methylthio)butanoic acid; 2-amino-3-phenylpropanoic acid IUPAC Name: 2-amino-3-hydroxypropanoic acid; 2-amino-4-methylsulfanylbutanoic acid; 2-amino-3-phenylpropanoic acid Traditional Name: 2-amino-3-hydroxy-propionic acid; 2-amino-4-(methylthio)butyric acid; 2-amino-3-phenyl-propionic acid Formula: C17H29N3O7S MolecularWeight: 419.49306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2.C5H11NO2S.C3H7NO3/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-9-3-2-4(6)5(7)8;4-2(1-5)3(6)7/h1-5,8H,6,10H2,(H,11,12);4H,2-3,6H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7)