methyl 2-[5-(1,2-dithiolan-3-yl)pentanoylamino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: methyl 2-[5-(1,2-dithiolan-3-yl)pentanoylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl 2-[5-(dithiolan-3-yl)pentanoylamino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-[[5-(3-dithiolanyl)-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[5-(dithiolan-3-yl)pentanoylamino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-[5-(dithiolan-3-yl)pentanoylamino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C15H23N3O3S2 MolecularWeight: 357.49142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NC(=O)CCCCC2CCSS2

Isomeric SMILES

COC(=O)C(CC1=CN=CN1)NC(=O)CCCCC2CCSS2

InChI

InChI=1S/C15H23N3O3S2/c1-21-15(20)13(8-11-9-16-10-17-11)18-14(19)5-3-2-4-12-6-7-22-23-12/h9-10,12-13H,2-8H2,1H3,(H,16,17)(H,18,19)