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

Systemtic Name: 4-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-[[1-[[1-(carboxymethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[1-[[1-(carboxymethylcarbamoyl)-3-methylsulfanyl-propyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-4-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]-3-methyl-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[1-[[1-(carboxymethylamino)-4-(methylthio)-1-oxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-3-methyl-1-oxopentyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[1-[[1-(carboxymethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-[[1-[[1-(carboxymethylcarbamoyl)-3-(methylthio)propyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]-4-[[2-[(2,4-diamino-4-keto-butanoyl)amino]-3-methyl-pentanoyl]amino]-5-keto-valeric acid Formula: C26H43N7O12S MolecularWeight: 677.72432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H43N7O12S/c1-4-12(2)21(33-22(41)13(27)9-17(28)34)26(45)31-14(5-6-18(35)36)24(43)32-16(10-19(37)38)25(44)30-15(7-8-46-3)23(42)29-11-20(39)40/h12-16,21H,4-11,27H2,1-3H3,(H2,28,34)(H,29,42)(H,30,44)(H,31,45)(H,32,43)(H,33,41)(H,35,36)(H,37,38)(H,39,40)