2-[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-3-methyl-pentanoyl]amino]propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-3-methyl-pentanoyl]amino]propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-methyl-pentanoyl]amino]propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-3-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-methyl-pentanoyl]amino]propanoylamino]-4-(methylthio)butyric acid Formula: C18H34N4O6S MolecularWeight: 434.55076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34N4O6S/c1-6-9(2)14(22-16(25)13(19)11(4)23)17(26)20-10(3)15(24)21-12(18(27)28)7-8-29-5/h9-14,23H,6-8,19H2,1-5H3,(H,20,26)(H,21,24)(H,22,25)(H,27,28)