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

Systemtic Name: 2-[[4-azanyl-2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-amino-2-[2-[(2-amino-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxo-butanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[4-amino-2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-amino-2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-amino-2-[2-[(2-amino-3-mercapto-propanoyl)amino]propanoylamino]-4-keto-butanoyl]amino]-4-(methylthio)butyric acid Formula: C15H27N5O6S2 MolecularWeight: 437.53478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N5O6S2/c1-7(18-13(23)8(16)6-27)12(22)20-10(5-11(17)21)14(24)19-9(15(25)26)3-4-28-2/h7-10,27H,3-6,16H2,1-2H3,(H2,17,21)(H,18,23)(H,19,24)(H,20,22)(H,25,26)