2-(2-azaniumylethanoylamino)-7-oxidanylidene-7-[[1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propan-2-yl]amino]heptanoate

Systemtic Name: 2-(2-azaniumylethanoylamino)-7-oxidanylidene-7-[[1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propan-2-yl]amino]heptanoate Openeye Name: 2-[(2-azaniumylacetyl)amino]-7-[[2-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]-1-methyl-2-oxo-ethyl]amino]-7-oxo-heptanoate CAS Name: 2-[(2-ammonio-1-oxoethyl)amino]-7-[[1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoate IUPAC Name: 2-[(2-azaniumylacetyl)amino]-7-[[1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoate Traditional Name: 2-[(2-ammonioacetyl)amino]-7-[[2-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]-2-keto-1-methyl-ethyl]amino]-7-keto-enanthate Formula: C15H26N4O7 MolecularWeight: 374.38954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N4O7/c1-8(13(22)18-9(2)14(23)24)17-11(20)6-4-3-5-10(15(25)26)19-12(21)7-16/h8-10H,3-7,16H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)(H,23,24)(H,25,26)