IUPAC Name :cyclo[L-isoleucyl-L-leucyl-L-leucyl-DL-prolyl-L-prolyl-L-phenylalanyl-L-phenylalanyl-L-leucyl-L-valyl]
InChI :InChI=1/C57H85N9O9/c1-11-37(10)48-55(73)61-40(28-33(2)3)49(67)62-44(30-35(6)7)56(74)66-27-19-25-46(66)57(75)65-26-18-24-45(65)53(71)60-43(32-39-22-16-13-17-23-39)51(69)59-42(31-38-20-14-12-15-21-38)50(68)58-41(29-34(4)5)52(70)63-47(36(8)9)54(72)64-48/h12-17,20-23,33-37,40-48H,11,18-19,24-32H2,1-10H3,(H,58,68)(H,59,69)(H,60,71)(H,61,73)(H,62,67)(H,63,70)(H,64,72)/t37-,40-,41-,42-,43-,44-,45-,46?,47-,48-/m0/s1
Std.InChI: InChI=1S/C57H85N9O9/c1-11-37(10)48-55(73)61-40(28-33(2)3)49(67)62-44(30-35(6)7)56(74)66-27-19-25-46(66)57(75)65-26-18-24-45(65)53(71)60-43(32-39-22-16-13-17-23-39)51(69)59-42(31-38-20-14-12-15-21-38)50(68)58-41(29-34(4)5)52(70)63-47(36(8)9)54(72)64-48/h12-17,20-23,33-37,40-48H,11,18-19,24-32H2,1-10H3,(H,58,68)(H,59,69)(H,60,71)(H,61,73)(H,62,67)(H,63,70)(H,64,72)/t37-,40-,41-,42-,43-,44-,45-,46?,47-,48-/m0/s1
InChIKey :DTEHCBOGAUCOJT-RCMBWNJEBU
Std.InChIKey: DTEHCBOGAUCOJT-RCMBWNJESA-N
SMILES :CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCCC2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CC(C)C)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(C)C)CC(C)C
Molar Refractivity :287.61 ± 0.5 cm3 (est)
Parachor :2163.6 ± 8.0 cm3 (est)
Index of Refraction :1.614 ± 0.05
(est)
Surface Tension :47.3 ± 7.0 dyne/cm (est)
Density :1.26 ± 0.1 g/cm3 (est)
Polarizability :114.02 ± 0.5 10-24cm3 (est)