(2R,6S)-2-azaniumyl-6-[[(2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]heptanedioate

Systemtic Name: (2R,6S)-2-azaniumyl-6-[[(2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]heptanedioate Openeye Name: (2R,6S)-2-azaniumyl-6-[[(2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-5-oxido-5-oxo-pentanoyl]amino]heptanedioate CAS Name: (2R,6S)-2-ammonio-6-[[(2R)-2-[[(2S)-2-ammonio-1-oxopropyl]amino]-5-oxido-1,5-dioxopentyl]amino]heptanedioate IUPAC Name: (2R,6S)-2-azaniumyl-6-[[(2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-5-oxido-5-oxopentanoyl]amino]heptanedioate Traditional Name: (2R,6S)-2-ammonio-6-[[(2R)-2-[[(2S)-2-ammoniopropanoyl]amino]-5-keto-5-oxido-pentanoyl]amino]pimelate Formula: C15H25N4O8- MolecularWeight: 389.381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)[O-])[NH3+]

InChI

InChI=1S/C15H26N4O8/c1-7(16)12(22)18-9(5-6-11(20)21)13(23)19-10(15(26)27)4-2-3-8(17)14(24)25/h7-10H,2-6,16-17H2,1H3,(H,18,22)(H,19,23)(H,20,21)(H,24,25)(H,26,27)/p-1/t7-,8+,9+,10-/m0/s1