methyl 2-[5-(1,2-dithiolan-3-yl)pentanoylamino]-3-(3-methylimidazol-4-yl)propanoate

Systemtic Name: methyl 2-[5-(1,2-dithiolan-3-yl)pentanoylamino]-3-(3-methylimidazol-4-yl)propanoate Openeye Name: methyl 2-[5-(dithiolan-3-yl)pentanoylamino]-3-(3-methylimidazol-4-yl)propanoate CAS Name: 2-[[5-(3-dithiolanyl)-1-oxopentyl]amino]-3-(3-methyl-4-imidazolyl)propanoic acid methyl ester IUPAC Name: methyl 2-[5-(dithiolan-3-yl)pentanoylamino]-3-(3-methylimidazol-4-yl)propanoate Traditional Name: 2-[5-(dithiolan-3-yl)pentanoylamino]-3-(3-methylimidazol-4-yl)propionic acid methyl ester Formula: C16H25N3O3S2 MolecularWeight: 371.518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CC(C(=O)OC)NC(=O)CCCCC2CCSS2

Isomeric SMILES

CN1C=NC=C1CC(C(=O)OC)NC(=O)CCCCC2CCSS2

InChI

InChI=1S/C16H25N3O3S2/c1-19-11-17-10-12(19)9-14(16(21)22-2)18-15(20)6-4-3-5-13-7-8-23-24-13/h10-11,13-14H,3-9H2,1-2H3,(H,18,20)