2-[[(2S)-2-azanylpent-4-ynoyl]amino]heptanedioic acid

Systemtic Name: 2-[[(2S)-2-azanylpent-4-ynoyl]amino]heptanedioic acid Openeye Name: 2-[[(2S)-2-aminopent-4-ynoyl]amino]heptanedioic acid CAS Name: 2-[[(2S)-2-amino-1-oxopent-4-ynyl]amino]heptanedioic acid IUPAC Name: 2-[[(2S)-2-aminopent-4-ynoyl]amino]heptanedioic acid Traditional Name: 2-[[(2S)-2-aminopent-4-ynoyl]amino]pimelic acid Formula: C12H18N2O5 MolecularWeight: 270.28172

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C(=O)NC(CCCCC(=O)O)C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O5/c1-2-5-8(13)11(17)14-9(12(18)19)6-3-4-7-10(15)16/h1,8-9H,3-7,13H2,(H,14,17)(H,15,16)(H,18,19)/t8-,9?/m0/s1