2-[[3-methyl-2-[[3-methyl-2-(2-oxidanylidenepiperidin-1-yl)butanoyl]amino]pentanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[3-methyl-2-[[3-methyl-2-(2-oxidanylidenepiperidin-1-yl)butanoyl]amino]pentanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[3-methyl-2-[[3-methyl-2-(2-oxo-1-piperidyl)butanoyl]amino]pentanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-methyl-2-[[3-methyl-1-oxo-2-(2-oxo-1-piperidinyl)butyl]amino]-1-oxopentyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-methyl-2-[[3-methyl-2-(2-oxopiperidin-1-yl)butanoyl]amino]pentanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[[2-(2-ketopiperidino)-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-(methylthio)butyric acid Formula: C21H37N3O5S MolecularWeight: 443.60058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCSC)C(=O)O)NC(=O)C(C(C)C)N1CCCCC1=O

Isomeric SMILES

CCC(C)C(C(=O)NC(CCSC)C(=O)O)NC(=O)C(C(C)C)N1CCCCC1=O

InChI

InChI=1S/C21H37N3O5S/c1-6-14(4)17(19(26)22-15(21(28)29)10-12-30-5)23-20(27)18(13(2)3)24-11-8-7-9-16(24)25/h13-15,17-18H,6-12H2,1-5H3,(H,22,26)(H,23,27)(H,28,29)