5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2,2-bis(hexanoylamino)pentanoic acid

Systemtic Name: 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2,2-bis(hexanoylamino)pentanoic acid Openeye Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2,2-bis(hexanoylamino)pentanoic acid CAS Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2,2-bis(1-oxohexylamino)pentanoic acid IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2,2-bis(hexanoylamino)pentanoic acid Traditional Name: 5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-2,2-bis(caproylamino)valeric acid Formula: C22H38N4O5S MolecularWeight: 470.62592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(CCCC1C2C(CS1)NC(=O)N2)(C(=O)O)NC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)NC(CCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)(C(=O)O)NC(=O)CCCCC

InChI

InChI=1S/C22H38N4O5S/c1-3-5-7-11-17(27)25-22(20(29)30,26-18(28)12-8-6-4-2)13-9-10-16-19-15(14-32-16)23-21(31)24-19/h15-16,19H,3-14H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H2,23,24,31)/t15-,16-,19-/m0/s1