H-SER-ALA-LEU-ARG-HIS-TYR-ILE-ASN-LEU-ILE-THR-ARG-GLN-ARG-TYR-NH2

119019-65-7

MFCD00167558

C85 H139 N29 O21

1903.22

InChI=1S/C85H139N29O21/c1-11-43(7)65(112-79(132)60(35-48-21-25-51(118)26-22-48)109-76(129)61(36-49-38-96-40-100-49)110-73(126)54(17-14-30-98-84(92)93)103-75(128)58(32-41(3)4)107-69(122)45(9)101-70(123)52(86)39-115)80(133)111-62(37-64(88)120)77(130)108-59(33-42(5)6)78(131)113-66(44(8)12-2)81(134)114-67(46(10)116)82(135)105-55(18-15-31-99-85(94)95)71(124)104-56(27-28-63(87)119)74(127)102-53(16-13-29-97-83(90)91)72(125)106-57(68(89)121)34-47-19-23-50(117)24-20-47/h19-26,38,40-46,52-62,65-67,115-118H,11-18,27-37,39,86H2,1-10H3,(H2,87,119)(H2,88,120)(H2,89,121)(H,96,100)(H,101,123)(H,102,127)(H,103,128)(H,104,124)(H,105,135)(H,106,125)(H,107,122)(H,108,130)(H,109,129)(H,110,126)(H,111,133)(H,112,132)(H,113,131)(H,114,134)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t43-,44-,45-,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67-/m0/s1

InChIKey=UKMKMLJWEDUFKW-PIJSUOSGSA-N

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)N

pro_donors:32

pro_acceptors:50

XLogP3:-19.0

Bulk/Fine:F