[TYR11]-SOMATOSTATIN

59481-27-5

MFCD00076769

C76 H104 N18 O20 S2

1653.9

InChI=1S/C76H104N18O20S2/c1-40(79)64(101)82-36-61(100)83-58-38-115-116-39-59(76(113)114)92-72(109)57(37-95)91-75(112)63(42(3)97)94-71(108)54(32-45-24-26-47(98)27-25-45)90-74(111)62(41(2)96)93-66(103)51(23-13-15-29-78)84-69(106)55(33-46-35-81-49-21-11-10-20-48(46)49)88-68(105)53(31-44-18-8-5-9-19-44)86-67(104)52(30-43-16-6-4-7-17-43)87-70(107)56(34-60(80)99)89-65(102)50(85-73(58)110)22-12-14-28-77/h4-11,16-21,24-27,35,40-42,50-59,62-63,81,95-98H,12-15,22-23,28-34,36-39,77-79H2,1-3H3,(H2,80,99)(H,82,101)(H,83,100)(H,84,106)(H,85,110)(H,86,104)(H,87,107)(H,88,105)(H,89,102)(H,90,111)(H,91,112)(H,92,109)(H,93,103)(H,94,108)(H,113,114)/t40-,41+,42+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1

InChIKey=YYMCVZDODOMTDK-XEKBYUQMSA-N

C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)Cc2c[nH]c3c2cccc3)Cc4ccccc4)Cc5ccccc5)CC(=O)N)CCCCN)NC(=O)CNC(=O)[C@H](C)N)C(=O)O)CO)[C@@H](C)O)Cc6ccc(cc6)O)O

pro_donors:23

pro_acceptors:38

XLogP3:-7.0

Bulk/Fine:F