2-azaniumyl-6-[[4-(2-azaniumylpropanoylamino)-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]-7-[(1-oxidanidyl-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-oxidanidyl-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-oxido-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-oxido-1-oxopropan-2-yl)amino]-7-oxoheptanoate IUPAC Name: 2-azaniumyl-6-[[4-(2-azaniumylpropanoylamino)-5-oxido-5-oxopentanoyl]amino]-7-[(1-oxido-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-1-methyl-2-oxido-ethyl)amino]enanthate Formula: C18H30N5O9- MolecularWeight: 460.4589

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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)[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)[O-])C(=O)[O-])[NH3+]

InChI

InChI=1S/C18H31N5O9/c1-8(19)14(25)23-12(18(31)32)6-7-13(24)22-11(5-3-4-10(20)17(29)30)15(26)21-9(2)16(27)28/h8-12H,3-7,19-20H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)(H,27,28)(H,29,30)(H,31,32)/p-1