5-[[1-[[5-azanyl-1-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[1-[[5-azanyl-1-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[1-[[4-amino-1-[(1-carboxy-2-methyl-propyl)carbamoyl]-4-oxo-butyl]carbamoyl]-3-methyl-butyl]amino]-4-[(2-amino-4-methylsulfanyl-butanoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-[[1-[[5-amino-1-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[1-[[5-amino-1-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid Traditional Name: 5-[[1-[[4-amino-1-[(1-carboxy-2-methyl-propyl)carbamoyl]-4-keto-butyl]carbamoyl]-3-methyl-butyl]amino]-4-[[2-amino-4-(methylthio)butanoyl]amino]-5-keto-valeric acid Formula: C26H46N6O9S MolecularWeight: 618.74324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H46N6O9S/c1-13(2)12-18(31-23(37)17(7-9-20(34)35)29-22(36)15(27)10-11-42-5)25(39)30-16(6-8-19(28)33)24(38)32-21(14(3)4)26(40)41/h13-18,21H,6-12,27H2,1-5H3,(H2,28,33)(H,29,36)(H,30,39)(H,31,37)(H,32,38)(H,34,35)(H,40,41)