methyl 2-[2-[(4-azanyl-6-oxidanylidene-1,3-diazinan-2-yl)sulfanyl]butanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[2-[(4-azanyl-6-oxidanylidene-1,3-diazinan-2-yl)sulfanyl]butanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[2-(4-amino-6-oxo-hexahydropyrimidin-2-yl)sulfanylbutanoylamino]-4-methyl-pentanoate CAS Name: 2-[[2-[(4-amino-6-oxo-1,3-diazinan-2-yl)thio]-1-oxobutyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]butanoylamino]-4-methylpentanoate Traditional Name: 2-[2-[(4-amino-6-keto-hexahydropyrimidin-2-yl)thio]butanoylamino]-4-methyl-valeric acid methyl ester Formula: C15H28N4O4S MolecularWeight: 360.47222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC(C)C)C(=O)OC)SC1NC(CC(=O)N1)N

Isomeric SMILES

CCC(C(=O)NC(CC(C)C)C(=O)OC)SC1NC(CC(=O)N1)N

InChI

InChI=1S/C15H28N4O4S/c1-5-10(24-15-18-11(16)7-12(20)19-15)13(21)17-9(6-8(2)3)14(22)23-4/h8-11,15,18H,5-7,16H2,1-4H3,(H,17,21)(H,19,20)