(2S)-2,6-bis(azanyl)hexanoic acid; (3-oxidanyl-2-tetradecanoyloxy-propyl) tetradecanoate

Systemtic Name: (2S)-2,6-bis(azanyl)hexanoic acid; (3-oxidanyl-2-tetradecanoyloxy-propyl) tetradecanoate Openeye Name: (2S)-2,6-diaminohexanoic acid; (3-hydroxy-2-tetradecanoyloxy-propyl) tetradecanoate CAS Name: (2S)-2,6-diaminohexanoic acid; tetradecanoic acid [3-hydroxy-2-(1-oxotetradecoxy)propyl] ester IUPAC Name: (2S)-2,6-diaminohexanoic acid; (3-hydroxy-2-tetradecanoyloxypropyl) tetradecanoate Traditional Name: (2S)-2,6-diaminohexanoic acid; myristic acid (3-hydroxy-2-tetradecanoyloxy-propyl) ester Formula: C61H130N10O15 MolecularWeight: 1243.7429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC.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

CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC.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/C31H60O5.5C6H14N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2;5*7-4-2-1-3-5(8)6(9)10/h29,32H,3-28H2,1-2H3;5*5H,1-4,7-8H2,(H,9,10)/t;5*5-/m.00000/s1