[4-oxidanylidene-1-phosphono-4-(1,3-thiazol-2-ylamino)-2-(1,3-thiazol-2-ylcarbamoyl)butyl]phosphonic acid

Systemtic Name: [4-oxidanylidene-1-phosphono-4-(1,3-thiazol-2-ylamino)-2-(1,3-thiazol-2-ylcarbamoyl)butyl]phosphonic acid Openeye Name: [4-oxo-1-phosphono-4-(thiazol-2-ylamino)-2-(thiazol-2-ylcarbamoyl)butyl]phosphonic acid CAS Name: [4-oxo-2-[oxo-(2-thiazolylamino)methyl]-1-phosphono-4-(2-thiazolylamino)butyl]phosphonic acid IUPAC Name: [4-oxo-1-phosphono-4-(1,3-thiazol-2-ylamino)-2-(1,3-thiazol-2-ylcarbamoyl)butyl]phosphonic acid Traditional Name: [4-keto-1-phosphono-4-(thiazol-2-ylamino)-2-(thiazol-2-ylcarbamoyl)butyl]phosphonic acid Formula: C11H14N4O8P2S2 MolecularWeight: 456.328382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=N1)NC(=O)CC(C(P(=O)(O)O)P(=O)(O)O)C(=O)NC2=NC=CS2

Isomeric SMILES

C1=CSC(=N1)NC(=O)CC(C(P(=O)(O)O)P(=O)(O)O)C(=O)NC2=NC=CS2

InChI

InChI=1S/C11H14N4O8P2S2/c16-7(14-10-12-1-3-26-10)5-6(8(17)15-11-13-2-4-27-11)9(24(18,19)20)25(21,22)23/h1-4,6,9H,5H2,(H,12,14,16)(H,13,15,17)(H2,18,19,20)(H2,21,22,23)