[1,1-联苯基]-2,5-二醇,4-乙氧基-(9CI)

290362-09-3

MFCD00798698

C50 H77 N17 O13

1124.26

InChI=1S/C50H77N17O13/c1-27(2)22-36(63-48(75)39-16-11-21-65(39)49(76)35(14-8-9-19-51)62-44(71)31-12-6-7-13-32(31)52)45(72)58-26-41(68)60-37(23-28(3)4)46(73)64-38(25-57-33-18-17-30(66(77)78)24-40(33)67(79)80)47(74)59-29(5)43(70)61-34(42(53)69)15-10-20-56-50(54)55/h6-7,12-13,17-18,24,27-29,34-39,57H,8-11,14-16,19-23,25-26,51-52H2,1-5H3,(H2,53,69)(H,58,72)(H,59,74)(H,60,68)(H,61,70)(H,62,71)(H,63,75)(H,64,73)(H4,54,55,56)/t29-,34-,35-,36-,37-,38-,39-/m0/s1

InChIKey=SVISUZRDMINSEK-ICJZXESVSA-N

CC(C)C[C@@H](C(=O)N[C@@H](CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)c3ccccc3N

pro_donors:14

pro_acceptors:30

XLogP3:-5.0

Bulk/Fine:F