K(BIOTIN)-RFARKGSLRQKNV

177966-62-0

MFCD01310912

C83 H144 N30 O20 S

1914.31

InChI=1S/C83H144N30O20S/c1-44(2)38-55(76(128)106-53(27-19-37-98-82(93)94)71(123)107-54(30-31-61(87)115)74(126)105-50(24-12-15-33-85)72(124)110-57(40-62(88)116)77(129)112-65(45(3)4)79(131)132)108-78(130)58(42-114)101-64(118)41-99-69(121)49(23-11-14-32-84)104-70(122)51(25-17-35-96-80(89)90)102-67(119)46(5)100-75(127)56(39-47-20-7-6-8-21-47)109-73(125)52(26-18-36-97-81(91)92)103-68(120)48(86)22-13-16-34-95-63(117)29-10-9-28-60-66-59(43-134-60)111-83(133)113-66/h6-8,20-21,44-46,48-60,65-66,114H,9-19,22-43,84-86H2,1-5H3,(H2,87,115)(H2,88,116)(H,95,117)(H,99,121)(H,100,127)(H,101,118)(H,102,119)(H,103,120)(H,104,122)(H,105,126)(H,106,128)(H,107,123)(H,108,130)(H,109,125)(H,110,124)(H,112,129)(H,131,132)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)(H2,111,113,133)/t46-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-,66-/m0/s1

InChIKey=VDJKYAKGCDHSFB-NICFTXIFSA-N

CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)N

pro_donors:32

pro_acceptors:50

XLogP3:-22.0

Bulk/Fine:F