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

Systemtic Name: 2-(2-azaniumylethanoylamino)-7-oxidanylidene-7-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]heptanoate Openeye Name: 2-[(2-azaniumylacetyl)amino]-7-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]-7-oxo-heptanoate CAS Name: 2-[(2-ammonio-1-oxoethyl)amino]-7-[(1-hydroxy-1-oxopropan-2-yl)amino]-7-oxoheptanoate IUPAC Name: 2-[(2-azaniumylacetyl)amino]-7-[(1-hydroxy-1-oxopropan-2-yl)amino]-7-oxoheptanoate Traditional Name: 2-[(2-ammonioacetyl)amino]-7-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]-7-keto-enanthate Formula: C12H21N3O6 MolecularWeight: 303.31164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O6/c1-7(11(18)19)14-9(16)5-3-2-4-8(12(20)21)15-10(17)6-13/h7-8H,2-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)