bis(azanyl)methylidene-[(4S)-5-[2,3-di(dodecanoyloxy)propoxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentyl]azanium chloride

Systemtic Name: bis(azanyl)methylidene-[(4S)-5-[2,3-di(dodecanoyloxy)propoxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentyl]azanium chloride Openeye Name: [(4S)-4-(tert-butoxycarbonylamino)-5-[2,3-di(dodecanoyloxy)propoxy]-5-oxo-pentyl]-(diaminomethylene)ammonium chloride CAS Name: [(4S)-5-[2,3-bis(1-oxododecoxy)propoxy]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentyl]-(diaminomethylidene)ammonium chloride IUPAC Name: diaminomethylidene-[(4S)-5-[2,3-di(dodecanoyloxy)propoxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentyl]azanium chloride Traditional Name: [(4S)-4-(tert-butoxycarbonylamino)-5-(2,3-dilauroyloxypropoxy)-5-keto-pentyl]-(diaminomethylene)ammonium chloride Formula: C38H73ClN4O8 MolecularWeight: 749.46122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(COC(=O)C(CCC[NH+]=C(N)N)NC(=O)OC(C)(C)C)OC(=O)CCCCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(COC(=O)[C@H](CCC[NH+]=C(N)N)NC(=O)OC(C)(C)C)OC(=O)CCCCCCCCCCC.[Cl-]

InChI

InChI=1S/C38H72N4O8.ClH/c1-6-8-10-12-14-16-18-20-22-26-33(43)47-29-31(49-34(44)27-23-21-19-17-15-13-11-9-7-2)30-48-35(45)32(25-24-28-41-36(39)40)42-37(46)50-38(3,4)5;/h31-32H,6-30H2,1-5H3,(H,42,46)(H4,39,40,41);1H/t31?,32-;/m0./s1