methyl 2-[[3-methyl-2-[[3-methyl-2-(3-sulfanylpropylamino)butanoyl]amino]pentanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[3-methyl-2-[[3-methyl-2-(3-sulfanylpropylamino)butanoyl]amino]pentanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[3-methyl-2-[[3-methyl-2-(3-sulfanylpropylamino)butanoyl]amino]pentanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[[2-(3-mercaptopropylamino)-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[3-methyl-2-[[3-methyl-2-(3-sulfanylpropylamino)butanoyl]amino]pentanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[[2-(3-mercaptopropylamino)-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H39N3O4S2 MolecularWeight: 449.67136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCSC)C(=O)OC)NC(=O)C(C(C)C)NCCCS

Isomeric SMILES

CCC(C)C(C(=O)NC(CCSC)C(=O)OC)NC(=O)C(C(C)C)NCCCS

InChI

InChI=1S/C20H39N3O4S2/c1-7-14(4)17(19(25)22-15(9-12-29-6)20(26)27-5)23-18(24)16(13(2)3)21-10-8-11-28/h13-17,21,28H,7-12H2,1-6H3,(H,22,25)(H,23,24)