2,3-bis(azanyl)propane-1-thiol; methyl 2-[butanoyl(3-methylpentoxy)amino]-3-methyl-4-methylsulfanyl-butanoate

Systemtic Name: 2,3-bis(azanyl)propane-1-thiol; methyl 2-[butanoyl(3-methylpentoxy)amino]-3-methyl-4-methylsulfanyl-butanoate Openeye Name: 2,3-diaminopropane-1-thiol; methyl 2-[butanoyl(3-methylpentoxy)amino]-3-methyl-4-methylsulfanyl-butanoate CAS Name: 2,3-diamino-1-propanethiol; 3-methyl-2-[3-methylpentoxy(1-oxobutyl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: 2,3-diaminopropane-1-thiol; methyl 2-[butanoyl(3-methylpentoxy)amino]-3-methyl-4-methylsulfanylbutanoate Traditional Name: 2-[butyryl(3-methylpentoxy)amino]-3-methyl-4-(methylthio)butyric acid methyl ester; 2,3-diaminopropane-1-thiol Formula: C20H43N3O4S2 MolecularWeight: 453.70312

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C(C(C)CSC)C(=O)OC)OCCC(C)CC.C(C(CS)N)N

Isomeric SMILES

CCCC(=O)N(C(C(C)CSC)C(=O)OC)OCCC(C)CC.C(C(CS)N)N

InChI

InChI=1S/C17H33NO4S.C3H10N2S/c1-7-9-15(19)18(22-11-10-13(3)8-2)16(17(20)21-5)14(4)12-23-6;4-1-3(5)2-6/h13-14,16H,7-12H2,1-6H3;3,6H,1-2,4-5H2