(2S)-2-acetamidopentanedioic acid; (2S)-2,5-bis(azanyl)pentanoic acid

Systemtic Name: (2S)-2-acetamidopentanedioic acid; (2S)-2,5-bis(azanyl)pentanoic acid Openeye Name: (2S)-2-acetamidopentanedioic acid; (2S)-2,5-diaminopentanoic acid CAS Name: (2S)-2-acetamidopentanedioic acid; (2S)-2,5-diaminopentanoic acid IUPAC Name: (2S)-2-acetamidopentanedioic acid; (2S)-2,5-diaminopentanoic acid Traditional Name: (2S)-2-acetamidoglutaric acid; (2S)-2,5-diaminovaleric acid Formula: C12H23N3O7 MolecularWeight: 321.32692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)O)C(=O)O.C(CC(C(=O)O)N)CN

Isomeric SMILES

CC(=O)N[C@@H](CCC(=O)O)C(=O)O.C(C[C@@H](C(=O)O)N)CN

InChI

InChI=1S/C7H11NO5.C5H12N2O2/c1-4(9)8-5(7(12)13)2-3-6(10)11;6-3-1-2-4(7)5(8)9/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);4H,1-3,6-7H2,(H,8,9)/t5-;4-/m00/s1