4-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxidanylidene-5-[[1-oxidanylidene-1-[[3-oxidanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propan-2-yl]amino]propan-2-yl]amino]pentanoic acid

Systemtic Name: 4-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxidanylidene-5-[[1-oxidanylidene-1-[[3-oxidanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propan-2-yl]amino]propan-2-yl]amino]pentanoic acid Openeye Name: 4-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[[2-[[1-(hydroxymethyl)-2-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-5-[[1-[[3-hydroxy-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[[1-[[3-hydroxy-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[[2-[[2-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]-2-keto-1-methylol-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-5-keto-valeric acid Formula: C20H31N7O9 MolecularWeight: 513.50164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CO)C(=O)NC(C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CN=CN1)N

Isomeric SMILES

CC(C(=O)NC(CO)C(=O)NC(C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CN=CN1)N

InChI

InChI=1S/C20H31N7O9/c1-9(16(31)27-14(7-28)19(34)25-10(2)20(35)36)24-18(33)13(3-4-15(29)30)26-17(32)12(21)5-11-6-22-8-23-11/h6,8-10,12-14,28H,3-5,7,21H2,1-2H3,(H,22,23)(H,24,33)(H,25,34)(H,26,32)(H,27,31)(H,29,30)(H,35,36)