2-azaniumyl-6-[[4-(2-azaniumylpropanoylamino)-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]-7-[[1-[(1-oxidanidyl-1-oxidanylidene-propan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoate

Systemtic Name: 2-azaniumyl-6-[[4-(2-azaniumylpropanoylamino)-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]-7-[[1-[(1-oxidanidyl-1-oxidanylidene-propan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoate Openeye Name: 2-azaniumyl-6-[[4-(2-azaniumylpropanoylamino)-5-oxido-5-oxo-pentanoyl]amino]-7-[[1-methyl-2-[(1-methyl-2-oxido-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-7-oxo-heptanoate CAS Name: 2-ammonio-6-[[4-[(2-ammonio-1-oxopropyl)amino]-5-oxido-1,5-dioxopentyl]amino]-7-[[1-[(1-oxido-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoate IUPAC Name: 2-azaniumyl-6-[[4-(2-azaniumylpropanoylamino)-5-oxido-5-oxopentanoyl]amino]-7-[[1-[(1-oxido-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoate Traditional Name: 2-ammonio-6-[[4-(2-ammoniopropanoylamino)-5-keto-5-oxido-pentanoyl]amino]-7-keto-7-[[2-keto-2-[(2-keto-1-methyl-2-oxido-ethyl)amino]-1-methyl-ethyl]amino]enanthate Formula: C21H35N6O10- MolecularWeight: 531.5368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)[O-])[NH3+])C(=O)NC(C)C(=O)NC(C)C(=O)[O-])C(=O)[O-])[NH3+]

Isomeric SMILES

CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)[O-])[NH3+])C(=O)NC(C)C(=O)NC(C)C(=O)[O-])C(=O)[O-])[NH3+]

InChI

InChI=1S/C21H36N6O10/c1-9(22)16(29)27-14(21(36)37)7-8-15(28)26-13(6-4-5-12(23)20(34)35)18(31)24-10(2)17(30)25-11(3)19(32)33/h9-14H,4-8,22-23H2,1-3H3,(H,24,31)(H,25,30)(H,26,28)(H,27,29)(H,32,33)(H,34,35)(H,36,37)/p-1