IUPAC Name :(2S)-1-[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
InChI :InChI=1/C27H48N6O6/c1-9-17(6)23(32-24(36)19(13-15(2)3)30-18(7)34)26(38)29-14-21(35)31-22(16(4)5)27(39)33-12-10-11-20(33)25(37)28-8/h15-17,19-20,22-23H,9-14H2,1-8H3,(H,28,37)(H,29,38)(H,30,34)(H,31,35)(H,32,36)/t17-,19-,20-,22-,23-/m0/s1
Std.InChI: InChI=1S/C27H48N6O6/c1-9-17(6)23(32-24(36)19(13-15(2)3)30-18(7)34)26(38)29-14-21(35)31-22(16(4)5)27(39)33-12-10-11-20(33)25(37)28-8/h15-17,19-20,22-23H,9-14H2,1-8H3,(H,28,37)(H,29,38)(H,30,34)(H,31,35)(H,32,36)/t17-,19-,20-,22-,23-/m0/s1
InChIKey :DPUYCSDGMSDKKV-MKBYFEBXBF
Std.InChIKey: DPUYCSDGMSDKKV-MKBYFEBXSA-N
SMILES :O=C(NC)[C@H]1N(C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)[C@@H](C)CC)C(C)C)CCC1
MDL: MFCD00130999
Molar Refractivity :147.29 ± 0.5 cm3 (est)
Parachor :1148.8 ± 8.0 cm3 (est)
Index of Refraction :1.569 ± 0.05
(est)
Surface Tension :42.8 ± 7.0 dyne/cm (est)
Density :1.23 ± 0.1 g/cm3 (est)
Polarizability :58.39 ± 0.5 10-24cm3 (est)