2-[2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2-[2-[(2-amino-3-sulfanyl-propanoyl)amino]propanoylamino]propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[2-[2-[(2-amino-3-mercapto-propanoyl)amino]propanoylamino]propanoylamino]-4-(methylthio)butyric acid Formula: C14H26N4O5S2 MolecularWeight: 394.51004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)O)NC(=O)C(C)NC(=O)C(CS)N

Isomeric SMILES

CC(C(=O)NC(CCSC)C(=O)O)NC(=O)C(C)NC(=O)C(CS)N

InChI

InChI=1S/C14H26N4O5S2/c1-7(17-13(21)9(15)6-24)11(19)16-8(2)12(20)18-10(14(22)23)4-5-25-3/h7-10,24H,4-6,15H2,1-3H3,(H,16,19)(H,17,21)(H,18,20)(H,22,23)