IUPAC Name :cyclo[L-leucyl-L-alloisoleucyl-L-prolyl-L-prolyl-L-phenylalanyl-L-phenylalanyl-L-valyl-L-alloisoleucyl-L-methionyl]
InChI :InChI=1/C56H83N9O9S/c1-10-35(7)46-54(72)57-39(26-29-75-9)48(66)58-40(30-33(3)4)50(68)63-47(36(8)11-2)56(74)65-28-19-25-44(65)55(73)64-27-18-24-43(64)52(70)60-41(31-37-20-14-12-15-21-37)49(67)59-42(32-38-22-16-13-17-23-38)51(69)61-45(34(5)6)53(71)62-46/h12-17,20-23,33-36,39-47H,10-11,18-19,24-32H2,1-9H3,(H,57,72)(H,58,66)(H,59,67)(H,60,70)(H,61,69)(H,62,71)(H,63,68)/t35-,36-,39+,40+,41+,42+,43+,44+,45+,46+,47+/m1/s1
Std.InChI: InChI=1S/C56H83N9O9S/c1-10-35(7)46-54(72)57-39(26-29-75-9)48(66)58-40(30-33(3)4)50(68)63-47(36(8)11-2)56(74)65-28-19-25-44(65)55(73)64-27-18-24-43(64)52(70)60-41(31-37-20-14-12-15-21-37)49(67)59-42(32-38-22-16-13-17-23-38)51(69)61-45(34(5)6)53(71)62-46/h12-17,20-23,33-36,39-47H,10-11,18-19,24-32H2,1-9H3,(H,57,72)(H,58,66)(H,59,67)(H,60,70)(H,61,69)(H,62,71)(H,63,68)/t35-,36-,39+,40+,41+,42+,43+,44+,45+,46+,47+/m1/s1
InChIKey :BRDMGDLQYNAXNM-LNRPDFAYBQ
Std.InChIKey: BRDMGDLQYNAXNM-LNRPDFAYSA-N
SMILES :CC[C@@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CC4=CC=CC=C4)CC5=CC=CC=C5)[C@H](C)CC)CC(C)C)CCSC
Molar Refractivity :291.00 ± 0.5 cm3 (est)
Parachor :2182.0 ± 8.0 cm3 (est)
Index of Refraction :1.623 ± 0.05
(est)
Surface Tension :49.1 ± 7.0 dyne/cm (est)
Density :1.28 ± 0.1 g/cm3 (est)
Polarizability :115.36 ± 0.5 10-24cm3 (est)