2-[5-[(3aS,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-4-sulfanyl-butanoic acid

Systemtic Name: 2-[5-[(3aS,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-4-sulfanyl-butanoic acid Openeye Name: 2-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-4-sulfanyl-butanoic acid CAS Name: 2-[[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-4-mercaptobutanoic acid IUPAC Name: 2-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-4-sulfanylbutanoic acid Traditional Name: 2-[5-[(3aS,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentanoylamino]-4-mercapto-butyric acid Formula: C14H23N3O4S2 MolecularWeight: 361.48012

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(S1)CCCCC(=O)NC(CCS)C(=O)O)NC(=O)N2

Isomeric SMILES

C1[C@H]2[C@@H](C(S1)CCCCC(=O)NC(CCS)C(=O)O)NC(=O)N2

InChI

InChI=1S/C14H23N3O4S2/c18-11(15-8(5-6-22)13(19)20)4-2-1-3-10-12-9(7-23-10)16-14(21)17-12/h8-10,12,22H,1-7H2,(H,15,18)(H,19,20)(H2,16,17,21)/t8?,9-,10?,12-/m0/s1