IUPAC Name :(2S)-N-[(2E,6S,9S,10R)-6-(1H-indol-3-ylmethyl)-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-methyl-2-(methylamino)butanamide
InChI :InChI=1/C31H39N5O4/c1-18(2)26(32-5)30(38)36-27-28(19(3)4)40-22-12-10-20(11-13-22)14-15-33-29(37)25(35-31(27)39)16-21-17-34-24-9-7-6-8-23(21)24/h6-15,17-19,25-28,32,34H,16H2,1-5H3,(H,33,37)(H,35,39)(H,36,38)/b15-14+/t25-,26-,27-,28+/m0/s1
Std.InChI: InChI=1S/C31H39N5O4/c1-18(2)26(32-5)30(38)36-27-28(19(3)4)40-22-12-10-20(11-13-22)14-15-33-29(37)25(35-31(27)39)16-21-17-34-24-9-7-6-8-23(21)24/h6-15,17-19,25-28,32,34H,16H2,1-5H3,(H,33,37)(H,35,39)(H,36,38)/b15-14+/t25-,26-,27-,28+/m0/s1
InChIKey :SBDJWBSJRCPRDV-OFWNYDEFBQ
Std.InChIKey: SBDJWBSJRCPRDV-OFWNYDEFSA-N
SMILES :CC(C)[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N/C=C/C2=CC=C(O1)C=C2)CC3=CNC4=CC=CC=C43)NC(=O)[C@H](C(C)C)NC
Molar Refractivity :153.51 ± 0.5 cm3 (est)
Parachor :1129.4 ± 8.0 cm3 (est)
Index of Refraction :1.624 ± 0.05
(est)
Surface Tension :45.7 ± 7.0 dyne/cm (est)
Density :1.25 ± 0.1 g/cm3 (est)
Polarizability :60.85 ± 0.5 10-24cm3 (est)