(2S)-2-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]pentanedioate

Systemtic Name: (2S)-2-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]pentanedioate Openeye Name: (2S)-2-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(2S,3S)-2-ammonio-3-methyl-1-oxopentyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2S,3S)-2-ammonio-3-methyl-pentanoyl]amino]glutarate Formula: C11H19N2O5- MolecularWeight: 259.27896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20N2O5/c1-3-6(2)9(12)10(16)13-7(11(17)18)4-5-8(14)15/h6-7,9H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/p-1/t6-,7-,9-/m0/s1