[2-[(2S)-5-[bis(azanyl)methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxy-3-dodecanoyloxy-propyl] dodecanoate

Systemtic Name: [2-[(2S)-5-[bis(azanyl)methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxy-3-dodecanoyloxy-propyl] dodecanoate Openeye Name: [2-[(2S)-2-(tert-butoxycarbonylamino)-5-guanidino-pentanoyl]oxy-3-dodecanoyloxy-propyl] dodecanoate CAS Name: dodecanoic acid [2-[(2S)-5-(diaminomethylideneamino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentoxy]-3-(1-oxododecoxy)propyl] ester IUPAC Name: [2-[(2S)-5-(diaminomethylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxy-3-dodecanoyloxypropyl] dodecanoate Traditional Name: lauric acid [2-[(2S)-2-(tert-butoxycarbonylamino)-5-guanidino-pentanoyl]oxy-3-lauroyloxy-propyl] ester Formula: C38H72N4O8 MolecularWeight: 713.00028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)C(CCCN=C(N)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)[C@H](CCCN=C(N)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C38H72N4O8/c1-6-8-10-12-14-16-18-20-22-26-33(43)47-29-31(30-48-34(44)27-23-21-19-17-15-13-11-9-7-2)49-35(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)/t32-/m0/s1