IUPAC Name :(2S)-5-[[(2R)-1-(carboxymethylamino)-3-hexadecanoylsulfanyl-1-oxopropan-2-yl]amino]-2-(hexadecanoylamino)-5-oxopentanoic acid
InChI :InChI=1/C42H77N3O8S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(46)44-35(42(52)53)31-32-38(47)45-36(41(51)43-33-39(48)49)34-54-40(50)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3,(H,43,51)(H,44,46)(H,45,47)(H,48,49)(H,52,53)/t35-,36-/m0/s1
Std.InChI: InChI=1S/C42H77N3O8S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(46)44-35(42(52)53)31-32-38(47)45-36(41(51)43-33-39(48)49)34-54-40(50)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3,(H,43,51)(H,44,46)(H,45,47)(H,48,49)(H,52,53)/t35-,36-/m0/s1
InChIKey :PNQGEMVOEPSFES-ZPGRZCPFBT
Std.InChIKey: PNQGEMVOEPSFES-ZPGRZCPFSA-N
SMILES :CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CSC(=O)CCCCCCCCCCCCCCC)C(=O)NCC(=O)O)C(=O)O
Molar Refractivity :219.54 ± 0.5 cm3 (est)
Parachor :1815.0 ± 8.0 cm3 (est)
Index of Refraction :1.528 ± 0.05
(est)
Surface Tension :42.2 ± 7.0 dyne/cm (est)
Density :1.10 ± 0.1 g/cm3 (est)
Polarizability :87.03 ± 0.5 10-24cm3 (est)