ethanoic acid; (2S)-2,6,8-tris(azanyl)-7-oxidanylidene-octanoic acid

Systemtic Name: ethanoic acid; (2S)-2,6,8-tris(azanyl)-7-oxidanylidene-octanoic acid Openeye Name: acetic acid; (2S)-2,6,8-triamino-7-oxo-octanoic acid CAS Name: acetic acid; (2S)-2,6,8-triamino-7-oxooctanoic acid IUPAC Name: acetic acid; (2S)-2,6,8-triamino-7-oxooctanoic acid Traditional Name: acetic acid; (2S)-2,6,8-triamino-7-keto-caprylic acid Formula: C10H21N3O5 MolecularWeight: 263.29084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H17N3O3.C2H4O2/c9-4-7(12)5(10)2-1-3-6(11)8(13)14;1-2(3)4/h5-6H,1-4,9-11H2,(H,13,14);1H3,(H,3,4)/t5?,6-;/m0./s1