2-azanylethanoic acid; (2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; (2R)-2-azanyl-3-sulfanyl-propanoic acid

Systemtic Name: 2-azanylethanoic acid; (2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; (2R)-2-azanyl-3-sulfanyl-propanoic acid Openeye Name: 2-aminoacetic acid; (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; (2R)-2-amino-3-sulfanyl-propanoic acid CAS Name: 2-aminoacetic acid; (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; (2R)-2-amino-3-mercaptopropanoic acid IUPAC Name: 2-aminoacetic acid; (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; (2R)-2-amino-3-sulfanylpropanoic acid Traditional Name: 2-aminoacetic acid; (2S)-2-amino-3-(1H-imidazol-5-yl)propionic acid; (2R)-2-amino-3-mercapto-propionic acid Formula: C28H51N13O14S2 MolecularWeight: 857.91324

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)O)N.C1=C(NC=N1)CC(C(=O)O)N.C1=C(NC=N1)CC(C(=O)O)N.C(C(C(=O)O)N)S.C(C(C(=O)O)N)S.C(C(=O)O)N.C(C(=O)O)N

Isomeric SMILES

C1=C(NC=N1)C[C@@H](C(=O)O)N.C1=C(NC=N1)C[C@@H](C(=O)O)N.C1=C(NC=N1)C[C@@H](C(=O)O)N.C([C@@H](C(=O)O)N)S.C([C@@H](C(=O)O)N)S.C(C(=O)O)N.C(C(=O)O)N

InChI

InChI=1S/3C6H9N3O2.2C3H7NO2S.2C2H5NO2/c3*7-5(6(10)11)1-4-2-8-3-9-4;2*4-2(1-7)3(5)6;2*3-1-2(4)5/h3*2-3,5H,1,7H2,(H,8,9)(H,10,11);2*2,7H,1,4H2,(H,5,6);2*1,3H2,(H,4,5)/t3*5-;2*2-;;/m00000../s1