4-[2-(2-azanylpropanoylamino)propanoylamino]-5-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[2-(2-azanylpropanoylamino)propanoylamino]-5-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[2-(2-aminopropanoylamino)propanoylamino]-5-[(1-carboxy-3-methylsulfanyl-propyl)amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-5-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[2-(2-aminopropanoylamino)propanoylamino]-5-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 4-[2-(alanylamino)propanoylamino]-5-[[1-carboxy-3-(methylthio)propyl]amino]-5-keto-valeric acid Formula: C16H28N4O7S MolecularWeight: 420.48112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N4O7S/c1-8(17)13(23)18-9(2)14(24)19-10(4-5-12(21)22)15(25)20-11(16(26)27)6-7-28-3/h8-11H,4-7,17H2,1-3H3,(H,18,23)(H,19,24)(H,20,25)(H,21,22)(H,26,27)