IUPAC Name :(2S,3S,4S)-4-[(2Z,4E,6R)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
InChI :InChI=1/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1
Std.InChI: InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1
InChIKey :VZFRNCSOCOPNDB-AOKDLOFSBM
Std.InChIKey: VZFRNCSOCOPNDB-AOKDLOFSSA-N
SMILES :C[C@H](/C=C/C=C(/C)\[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O)C(=O)O
MDL: MFCD06795841
Molar Refractivity :77.24 ± 0.3 cm3 (est)
Parachor :659.4 ± 6.0 cm3 (est)
Index of Refraction :1.544 ± 0.02
(est)
Surface Tension :53.0 ± 3.0 dyne/cm (est)
Density :1.273 ± 0.06 g/cm3 (est)
Polarizability :30.62 ± 0.5 10-24cm3 (est)