FMOC-TYR(SO3H)-OH BA

CAS No.
78553-20-5
CCD No.
CCD01001414
Formula
2 C24 H20 N O8 S . Ba
MolWeight
1102.3

Basic Information

Product Name: FMOC-TYR(SO3H)-OH BA
CAS: 78553-20-5
English Synonyms: FMOC-TYR(SO3H)-OH BA ; N-ALPHA-(9-FLUORENYLMETHOXYCARBONYL)-O-SULFONATO-L-TYROSINATE BARIUM SALT
MDL Number.: MFCD11045869
H bond acceptor: 9
H bond donor: 2
Smile: c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4ccc(cc4)OS(=O)(=O)[O-])C(=O)O.c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4ccc(cc4)OS(=O)(=O)[O-])C(=O)O.[Ba+2]
InChi: InChI=1S/2C24H21NO8S.Ba/c2*26-23(27)22(13-15-9-11-16(12-10-15)33-34(29,30)31)25-24(28)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21;/h2*1-12,21-22H,13-14H2,(H,25,28)(H,26,27)(H,29,30,31);/q;;+2/p-2/t2*22-;/m00./s1
InChiKey: InChIKey=FJITYJMVTHWVEO-VRCDMBAWSA-L