IUPAC Name :4-[[2-[[(5R)-3-[[(2S,3R)-1-(4-carboxyanilino)-3-hydroxy-1-oxobutan-2-yl]amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-ylidene]amino]acetyl]amino]benzoic acid
InChI :InChI=1/C28H32N4O10/c1-15(34)23(25(36)31-19-9-5-17(6-10-19)27(39)40)32-21-12-28(41,14-33)11-20(24(21)42-2)29-13-22(35)30-18-7-3-16(4-8-18)26(37)38/h3-10,15,23,32-34,41H,11-14H2,1-2H3,(H,30,35)(H,31,36)(H,37,38)(H,39,40)/t15-,23+,28+/m1/s1
Std.InChI: InChI=1S/C28H32N4O10/c1-15(34)23(25(36)31-19-9-5-17(6-10-19)27(39)40)32-21-12-28(41,14-33)11-20(24(21)42-2)29-13-22(35)30-18-7-3-16(4-8-18)26(37)38/h3-10,15,23,32-34,41H,11-14H2,1-2H3,(H,30,35)(H,31,36)(H,37,38)(H,39,40)/t15-,23+,28+/m1/s1
InChIKey :RWOCSHYXRJITNT-HUDURJMMBA
Std.InChIKey: RWOCSHYXRJITNT-HUDURJMMSA-N
SMILES :C[C@H]([C@@H](C(=O)NC1=CC=C(C=C1)C(=O)O)NC2=C(C(=NCC(=O)NC3=CC=C(C=C3)C(=O)O)C[C@](C2)(CO)O)OC)O
Molar Refractivity :145.38 ± 0.5 cm3 (est)
Parachor :1120.1 ± 8.0 cm3 (est)
Index of Refraction :1.644 ± 0.05
(est)
Surface Tension :60.6 ± 7.0 dyne/cm (est)
Density :1.45 ± 0.1 g/cm3 (est)
Polarizability :57.63 ± 0.5 10-24cm3 (est)