methyl 2-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H30N4O3S MolecularWeight: 394.5315

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C19H30N4O3S/c1-15-6-4-7-16(20-15)14-22-9-5-10-23(12-11-22)19(25)21-17(8-13-27-3)18(24)26-2/h4,6-7,17H,5,8-14H2,1-3H3,(H,21,25)