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

Systemtic Name: (2S)-2,6-bis(azanyl)hexanoic acid; ethanoic acid Openeye Name: acetic acid; (2S)-2,6-diaminohexanoic acid CAS Name: acetic acid; (2S)-2,6-diaminohexanoic acid IUPAC Name: acetic acid; (2S)-2,6-diaminohexanoic acid Traditional Name: acetic acid; (2S)-2,6-diaminohexanoic acid Formula: C62H140N16O30 MolecularWeight: 1589.8642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/8C6H14N2O2.7C2H4O2/c8*7-4-2-1-3-5(8)6(9)10;7*1-2(3)4/h8*5H,1-4,7-8H2,(H,9,10);7*1H3,(H,3,4)/t8*5-;;;;;;;/m00000000......./s1