(2S)-2-(2-azaniumylethanoylamino)-7-oxidanylidene-7-[[(1S)-1-phosphoethyl]amino]heptanoate

Systemtic Name: (2S)-2-(2-azaniumylethanoylamino)-7-oxidanylidene-7-[[(1S)-1-phosphoethyl]amino]heptanoate Openeye Name: (2S)-2-[(2-azaniumylacetyl)amino]-7-oxo-7-[[(1S)-1-phosphoethyl]amino]heptanoate CAS Name: (2S)-2-[(2-ammonio-1-oxoethyl)amino]-7-oxo-7-[[(1S)-1-phosphoethyl]amino]heptanoate IUPAC Name: (2S)-2-[(2-azaniumylacetyl)amino]-7-oxo-7-[[(1S)-1-phosphoethyl]amino]heptanoate Traditional Name: (2S)-2-[(2-ammonioacetyl)amino]-7-keto-7-[[(1S)-1-phosphoethyl]amino]enanthate Formula: C11H20N3O6P MolecularWeight: 321.266761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+])[P+](=O)[O-]

InChI

InChI=1S/C11H20N3O6P/c1-7(21(19)20)13-9(15)5-3-2-4-8(11(17)18)14-10(16)6-12/h7-8H,2-6,12H2,1H3,(H,13,15)(H,14,16)(H,17,18)/t7-,8-/m0/s1