N-NITROSOTAUROCHOLIC ACID

82660-96-6

MFCD08690483

C26 H44 N2 O8 S

544.706

InChI=1S/C26H44N2O8S/c1-15(4-7-23(32)28(27-33)10-11-37(34,35)36)18-5-6-19-24-20(14-22(31)26(18,19)3)25(2)9-8-17(29)12-16(25)13-21(24)30/h15-22,24,29-31H,4-14H2,1-3H3,(H,34,35,36)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1

InChIKey=RGGOJLKORFRSHP-HZAMXZRMSA-N

C[C@H](CCC(=O)N(CCS(=O)(=O)O)N=O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

pro_donors:4

pro_acceptors:10

XLogP3:0.0

Bulk/Fine:F