IUPAC Name :(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[2-(hexadecanoylamino)acetyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI :InChI=1/C34H62N8O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-29(44)39-24-30(45)40-25(20-21-28(35)43)32(47)42-23-16-18-27(42)31(46)41-26(33(48)49)17-15-22-38-34(36)37/h25-27H,2-24H2,1H3,(H2,35,43)(H,39,44)(H,40,45)(H,41,46)(H,48,49)(H4,36,37,38)/t25-,26-,27-/m0/s1
Std.InChI: InChI=1S/C34H62N8O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-29(44)39-24-30(45)40-25(20-21-28(35)43)32(47)42-23-16-18-27(42)31(46)41-26(33(48)49)17-15-22-38-34(36)37/h25-27H,2-24H2,1H3,(H2,35,43)(H,39,44)(H,40,45)(H,41,46)(H,48,49)(H4,36,37,38)/t25-,26-,27-/m0/s1
InChIKey :IHRKJQSLKLYWBQ-QKDODKLFBM
Std.InChIKey: IHRKJQSLKLYWBQ-QKDODKLFSA-N
SMILES :CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
Molar Refractivity :184.39 ± 0.5 cm3 (est)
Parachor :1479.1 ± 8.0 cm3 (est)
Index of Refraction :1.585 ± 0.05
(est)
Surface Tension :52.2 ± 7.0 dyne/cm (est)
Density :1.26 ± 0.1 g/cm3 (est)
Polarizability :73.10 ± 0.5 10-24cm3 (est)