5-[(3aR,6S,6aS)-2-oxidanylidene-3-(2-phosphonoethanoyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid

Systemtic Name: 5-[(3aR,6S,6aS)-2-oxidanylidene-3-(2-phosphonoethanoyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid Openeye Name: 5-[(3aR,6S,6aS)-2-oxo-3-(2-phosphonoacetyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid CAS Name: 5-[(3aR,6S,6aS)-2-oxo-3-(1-oxo-2-phosphonoethyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid IUPAC Name: 5-[(3aR,6S,6aS)-2-oxo-3-(2-phosphonoacetyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid Traditional Name: 5-[(3aR,6S,6aS)-2-keto-3-(2-phosphonoacetyl)-3a,4,6,6a-tetrahydro-1H-thien[3,4-d]imidazol-6-yl]valeric acid Formula: C12H19N2O7PS MolecularWeight: 366.327221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2C(=O)CP(=O)(O)O

Isomeric SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2C(=O)CP(=O)(O)O

InChI

InChI=1S/C12H19N2O7PS/c15-9(5-22(19,20)21)14-7-6-23-8(11(7)13-12(14)18)3-1-2-4-10(16)17/h7-8,11H,1-6H2,(H,13,18)(H,16,17)(H2,19,20,21)/t7-,8-,11-/m0/s1