2-acetyloxybenzoic acid; 2-azanylethanoic acid; (2S)-2,6-bis(azanyl)hexanoic acid

Systemtic Name: 2-acetyloxybenzoic acid; 2-azanylethanoic acid; (2S)-2,6-bis(azanyl)hexanoic acid Openeye Name: 2-acetoxybenzoic acid; 2-aminoacetic acid; (2S)-2,6-diaminohexanoic acid CAS Name: 2-acetyloxybenzoic acid; 2-aminoacetic acid; (2S)-2,6-diaminohexanoic acid IUPAC Name: 2-acetyloxybenzoic acid; 2-aminoacetic acid; (2S)-2,6-diaminohexanoic acid Traditional Name: 2-acetoxybenzoic acid; 2-aminoacetic acid; (2S)-2,6-diaminohexanoic acid Formula: C17H27N3O8 MolecularWeight: 401.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)O.C(CCN)CC(C(=O)O)N.C(C(=O)O)N

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)O.C(CCN)C[C@@H](C(=O)O)N.C(C(=O)O)N

InChI

InChI=1S/C9H8O4.C6H14N2O2.C2H5NO2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-4-2-1-3-5(8)6(9)10;3-1-2(4)5/h2-5H,1H3,(H,11,12);5H,1-4,7-8H2,(H,9,10);1,3H2,(H,4,5)/t;5-;/m.0./s1