H-HIS-THR-MET-TYR-TYR-HIS-HIS-TYR-GLN-HIS-HIS-LEU-OH | CAS No. 492444-99-2

CC(C[C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CC1=CN=CN1)=O)[C@H](O)C)=O)CCSC)=O)CC2=CC=C(O)C=C2)=O)CC3=CC=C(O)C=C3)=O)CC4=CN=CN4)=O)CC5=CN=CN5)=O)CC6=CC=C(O)C=C6)=O)CCC(N)=O)=O)CC7=CN=CN7)=O)CC8=CN=CN8)=O)C(O)=O)C

InChI

InChI=1S/C77H99N23O18S/c1-40(2)21-63(77(117)118)99-75(115)62(29-49-34-84-39-89-49)98-73(113)59(26-46-31-81-36-86-46)95-67(107)54(17-18-64(79)105)90-69(109)56(22-42-5-11-50(102)12-6-42)94-72(112)60(27-47-32-82-37-87-47)97-74(114)61(28-48-33-83-38-88-48)96-71(111)58(24-44-9-15-52(104)16-10-44)93-70(110)57(23-43-7-13-51(103)14-8-43)92-68(108)55(19-20-119-4)91-76(116)65(41(3)101)100-66(106)53(78)25-45-30-80-35-85-45/h5-16,30-41,53-63,65,101-104H,17-29,78H2,1-4H3,(H2,79,105)(H,80,85)(H,81,86)(H,82,87)(H,83,88)(H,84,89)(H,90,109)(H,91,116)(H,92,108)(H,93,110)(H,94,112)(H,95,107)(H,96,111)(H,97,114)(H,98,113)(H,99,115)(H,100,106)(H,117,118)/t41-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,65+/m1/s1

InChIKey

CMQOWJLAHNYCMN-CIUMCOQYSA-N

LogP

2.55100

Topological Polar Surface Area

650.83 Ų

Hydrogen Bond Donor/Acceptor

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