2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]propanoyl]amino]heptanedioic acid

Systemtic Name: 2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]propanoyl]amino]heptanedioic acid Openeye Name: 2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]heptanedioic acid CAS Name: 2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxopropyl]amino]heptanedioic acid IUPAC Name: 2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]heptanedioic acid Traditional Name: 2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]pimelic acid Formula: C13H23N3O6 MolecularWeight: 317.33822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)NC(CCCCC(=O)O)C(=O)O)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C)C(=O)NC(CCCCC(=O)O)C(=O)O)N

InChI

InChI=1S/C13H23N3O6/c1-7(14)11(19)15-8(2)12(20)16-9(13(21)22)5-3-4-6-10(17)18/h7-9H,3-6,14H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)(H,21,22)/t7-,8-,9?/m0/s1