4-[2-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoylamino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]pentanoic acid

Systemtic Name: 4-[2-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoylamino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]pentanoic acid Openeye Name: 4-[2-[[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]-5-hydroxy-5-oxo-pentanoyl]amino]propanoylamino]-5-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-5-[(1-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 4-[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-hydroxy-5-oxopentanoyl]amino]propanoylamino]-5-[(1-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 4-[2-[[2-[[2-amino-4-(methylthio)butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]propanoylamino]-5-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]-5-keto-valeric acid Formula: C21H35N5O10S MolecularWeight: 549.5951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N5O10S/c1-10(17(31)25-13(4-6-15(27)28)20(34)24-11(2)21(35)36)23-19(33)14(5-7-16(29)30)26-18(32)12(22)8-9-37-3/h10-14H,4-9,22H2,1-3H3,(H,23,33)(H,24,34)(H,25,31)(H,26,32)(H,27,28)(H,29,30)(H,35,36)