H-ILE-SER-GLN-ALA-VAL-HIS-ALA-ALA-HIS-ALA-GLU-ILE-ASN-GLU-ALA-GLY-ARG-OH

92915-79-2

MFCD02181011

C74 H120 N26 O25

1773.92

InChI=1S/C74H120N26O25/c1-12-33(5)55(77)70(121)98-49(29-101)69(120)94-42(16-19-50(75)102)63(114)88-39(11)62(113)99-56(32(3)4)71(122)96-47(24-41-27-81-31-85-41)67(118)89-36(8)59(110)86-37(9)61(112)95-46(23-40-26-80-30-84-40)66(117)90-38(10)60(111)92-44(18-21-54(107)108)65(116)100-57(34(6)13-2)72(123)97-48(25-51(76)103)68(119)93-43(17-20-53(105)106)64(115)87-35(7)58(109)83-28-52(104)91-45(73(124)125)15-14-22-82-74(78)79/h26-27,30-39,42-49,55-57,101H,12-25,28-29,77H2,1-11H3,(H2,75,102)(H2,76,103)(H,80,84)(H,81,85)(H,83,109)(H,86,110)(H,87,115)(H,88,114)(H,89,118)(H,90,117)(H,91,104)(H,92,111)(H,93,119)(H,94,120)(H,95,112)(H,96,122)(H,97,123)(H,98,121)(H,99,113)(H,100,116)(H,105,106)(H,107,108)(H,124,125)(H4,78,79,82)/t33-,34-,35-,36-,37-,38-,39-,42-,43-,44-,45-,46-,47-,48-,49-,55-,56-,57-/m0/s1

InChIKey=GSSMIHQEWAQUPM-AOLPDKKJSA-N

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N

pro_donors:28

pro_acceptors:51

XLogP3:-15.0

Bulk/Fine:F