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

Systemtic Name: 4-[[2-[[4-azanyl-2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-5-[[3-oxidanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]butan-2-yl]amino]pentanoic acid Openeye Name: 4-[[2-[[4-amino-2-[(2,4-diamino-4-oxo-butanoyl)amino]-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-[[2-hydroxy-1-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]propyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[4-amino-2-[(2,4-diamino-1,4-dioxobutyl)amino]-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-5-[[3-hydroxy-1-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-5-[[3-hydroxy-1-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[[2-[[4-amino-2-[(2,4-diamino-4-keto-butanoyl)amino]-4-keto-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-5-[[2-hydroxy-1-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]propyl]amino]-5-keto-valeric acid Formula: C24H38N8O14S MolecularWeight: 694.66872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38N8O14S/c1-8(33)18(23(44)31-13(7-47)24(45)46)32-20(41)10(2-3-16(36)37)28-22(43)12(6-17(38)39)30-21(42)11(5-15(27)35)29-19(40)9(25)4-14(26)34/h8-13,18,33,47H,2-7,25H2,1H3,(H2,26,34)(H2,27,35)(H,28,43)(H,29,40)(H,30,42)(H,31,44)(H,32,41)(H,36,37)(H,38,39)(H,45,46)