2-azanyl-3-[5-[[5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-1-methyl-imidazol-4-yl]disulfanyl]-3-methyl-imidazol-4-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[5-[[5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-1-methyl-imidazol-4-yl]disulfanyl]-3-methyl-imidazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[5-[[5-(2-amino-3-hydroxy-3-oxo-propyl)-1-methyl-imidazol-4-yl]disulfanyl]-3-methyl-imidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[5-[[5-(2-amino-3-hydroxy-3-oxopropyl)-1-methyl-4-imidazolyl]disulfanyl]-3-methyl-4-imidazolyl]propanoic acid IUPAC Name: 2-amino-3-[5-[[5-(2-amino-3-hydroxy-3-oxopropyl)-1-methylimidazol-4-yl]disulfanyl]-3-methylimidazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[5-[[5-(2-amino-3-hydroxy-3-keto-propyl)-1-methyl-imidazol-4-yl]disulfanyl]-3-methyl-imidazol-4-yl]propionic acid Formula: C14H20N6O4S2 MolecularWeight: 400.4764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1CC(C(=O)O)N)SSC2=C(N(C=N2)C)CC(C(=O)O)N

Isomeric SMILES

CN1C=NC(=C1CC(C(=O)O)N)SSC2=C(N(C=N2)C)CC(C(=O)O)N

InChI

InChI=1S/C14H20N6O4S2/c1-19-5-17-11(9(19)3-7(15)13(21)22)25-26-12-10(20(2)6-18-12)4-8(16)14(23)24/h5-8H,3-4,15-16H2,1-2H3,(H,21,22)(H,23,24)