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

Systemtic Name: 4-[2-[[2-[[4-azanyl-2-(2-azanylpropanoylamino)-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoyl]amino]propanoylamino]-5-[[4-azanyl-1,4-bis(oxidanylidene)-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxo-butanoyl]amino]-3-methyl-butanoyl]amino]propanoylamino]-5-[[3-amino-1-[(2-hydroxy-1-methyl-2-oxo-ethyl)carbamoyl]-3-oxo-propyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[2-[[4-amino-2-[(2-amino-1-oxopropyl)amino]-1,4-dioxobutyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-5-[[4-amino-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-5-[[4-amino-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[2-[[2-[[2-(alanylamino)-4-amino-4-keto-butanoyl]amino]-3-methyl-butanoyl]amino]propanoylamino]-5-[[3-amino-1-[(2-hydroxy-2-keto-1-methyl-ethyl)carbamoyl]-3-keto-propyl]amino]-5-keto-valeric acid Formula: C27H45N9O12 MolecularWeight: 687.6993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45N9O12/c1-10(2)20(36-25(45)16(9-18(30)38)34-21(41)11(3)28)26(46)31-12(4)22(42)33-14(6-7-19(39)40)23(43)35-15(8-17(29)37)24(44)32-13(5)27(47)48/h10-16,20H,6-9,28H2,1-5H3,(H2,29,37)(H2,30,38)(H,31,46)(H,32,44)(H,33,42)(H,34,41)(H,35,43)(H,36,45)(H,39,40)(H,47,48)