IUPAC Name :(2S)-6-amino-2-[[(2S)-2-[[2-(hexadecanoylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid
InChI :InChI=1/C30H54N6O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-27(37)33-22-28(38)35-26(20-24-21-32-23-34-24)29(39)36-25(30(40)41)17-15-16-19-31/h21,23,25-26H,2-20,22,31H2,1H3,(H,32,34)(H,33,37)(H,35,38)(H,36,39)(H,40,41)/t25-,26-/m0/s1
Std.InChI: InChI=1S/C30H54N6O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-27(37)33-22-28(38)35-26(20-24-21-32-23-34-24)29(39)36-25(30(40)41)17-15-16-19-31/h21,23,25-26H,2-20,22,31H2,1H3,(H,32,34)(H,33,37)(H,35,38)(H,36,39)(H,40,41)/t25-,26-/m0/s1
InChIKey :BYUQATUKPXLFLZ-UIOOFZCWBC
Std.InChIKey: BYUQATUKPXLFLZ-UIOOFZCWSA-N
SMILES :CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)O
Molar Refractivity :159.52 ± 0.5 cm3 (est)
Parachor :1284.6 ± 8.0 cm3 (est)
Index of Refraction :1.561 ± 0.05
(est)
Surface Tension :46.4 ± 7.0 dyne/cm (est)
Density :1.17 ± 0.1 g/cm3 (est)
Polarizability :63.24 ± 0.5 10-24cm3 (est)