IUPAC Name :2-[(3S,9S,12S,15S,18S,21S)-3-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-15-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-18-yl]acetamid
InChI :InChI=1/C35H49N9O9/c1-17(2)12-23-31(49)38-16-28(47)43-29(19(4)45)35(53)44-11-7-10-26(44)34(52)42-25(14-27(36)46)32(50)39-18(3)30(48)40-24(33(51)41-23)13-20-15-37-22-9-6-5-8-21(20)22/h5-6,8-9,15,17-19,23-26,29,37,45H,7,10-14,16H2,1-4H3,(H2,36,46)(H,38,49)(H,39,50)(H,40,48)(H,41,51)(H,42,52)(H,43,47)/t18-,19+,23-,24-,25-,26-,29-/m0/s1
Std.InChI: InChI=1S/C35H49N9O9/c1-17(2)12-23-31(49)38-16-28(47)43-29(19(4)45)35(53)44-11-7-10-26(44)34(52)42-25(14-27(36)46)32(50)39-18(3)30(48)40-24(33(51)41-23)13-20-15-37-22-9-6-5-8-21(20)22/h5-6,8-9,15,17-19,23-26,29,37,45H,7,10-14,16H2,1-4H3,(H2,36,46)(H,38,49)(H,39,50)(H,40,48)(H,41,51)(H,42,52)(H,43,47)/t18-,19+,23-,24-,25-,26-,29-/m0/s1
InChIKey :DHPZPVONGOOZPQ-YOGBPHHOBR
Std.InChIKey: DHPZPVONGOOZPQ-YOGBPHHOSA-N
SMILES :C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N1)CC(=O)N)[C@@H](C)O)CC(C)C)CC3=CNC4=CC=CC=C43
Molar Refractivity :187.83 ± 0.5 cm3 (est)
Parachor :1387.1 ± 8.0 cm3 (est)
Index of Refraction :1.687 ± 0.05
(est)
Surface Tension :62.7 ± 7.0 dyne/cm (est)
Density :1.50 ± 0.1 g/cm3 (est)
Polarizability :74.46 ± 0.5 10-24cm3 (est)