IUPAC Name :2-[(9R,12S,18S)-9-benzyl-18-[3-(diaminomethylideneamino)propyl]-8,11,14,17,20-pentaoxo-7,10,13,16,19-pentazaspiro[5.14]icosan-12-yl]acetic acid
InChI :InChI=1/C28H40N8O7/c29-27(30)31-13-7-10-18-23(40)32-16-21(37)33-20(15-22(38)39)24(41)34-19(14-17-8-3-1-4-9-17)25(42)36-28(26(43)35-18)11-5-2-6-12-28/h1,3-4,8-9,18-20H,2,5-7,10-16H2,(H,32,40)(H,33,37)(H,34,41)(H,35,43)(H,36,42)(H,38,39)(H4,29,30,31)/t18-,19+,20-/m0/s1
Std.InChI: InChI=1S/C28H40N8O7/c29-27(30)31-13-7-10-18-23(40)32-16-21(37)33-20(15-22(38)39)24(41)34-19(14-17-8-3-1-4-9-17)25(42)36-28(26(43)35-18)11-5-2-6-12-28/h1,3-4,8-9,18-20H,2,5-7,10-16H2,(H,32,40)(H,33,37)(H,34,41)(H,35,43)(H,36,42)(H,38,39)(H4,29,30,31)/t18-,19+,20-/m0/s1
InChIKey :ROFCWWUBJHHVGZ-ZCNNSNEGBA
Std.InChIKey: ROFCWWUBJHHVGZ-ZCNNSNEGSA-N
SMILES :C1CCC2(CC1)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N2)CC3=CC=CC=C3)CC(=O)O)CCCN=C(N)N
Molar Refractivity :152.59 ± 0.5 cm3 (est)
Parachor :1158.5 ± 8.0 cm3 (est)
Index of Refraction :1.677 ± 0.05
(est)
Surface Tension :66.9 ± 7.0 dyne/cm (est)
Density :1.48 ± 0.1 g/cm3 (est)
Polarizability :60.49 ± 0.5 10-24cm3 (est)