[CYS8] RENIN SUBSTRATE TETRADECAPEPTIDE, RAT

75645-19-1 ;61506-93-2

MFCD00270639

C83 H119 N21 O21 S

1779.05

InChI=1S/C83H119N21O21S/c1-9-45(8)68(103-76(118)60(32-48-18-24-53(108)25-19-48)98-79(121)67(44(6)7)102-70(112)55(12-10-26-89-83(85)86)92-69(111)54(84)35-66(109)110)80(122)99-62(34-50-37-88-41-91-50)81(123)104-27-11-13-65(104)78(120)101-64(39-126)77(119)97-61(33-49-36-87-40-90-49)75(117)94-56(28-42(2)3)71(113)93-57(29-43(4)5)72(114)95-58(30-46-14-20-51(106)21-15-46)73(115)96-59(31-47-16-22-52(107)23-17-47)74(116)100-63(38-105)82(124)125/h14-25,36-37,40-45,54-65,67-68,105-108,126H,9-13,26-35,38-39,84H2,1-8H3,(H,87,90)(H,88,91)(H,92,111)(H,93,113)(H,94,117)(H,95,114)(H,96,115)(H,97,119)(H,98,121)(H,99,122)(H,100,116)(H,101,120)(H,102,112)(H,103,118)(H,109,110)(H,124,125)(H4,85,86,89)/t45-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,67-,68-/m0/s1

InChIKey=RTTILYOIFZXMFK-ZINNNDLBSA-N

CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4ccc(cc4)O)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](Cc6ccc(cc6)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)N

H bond donor:24

H bond acceptor:42

XLogP3:-6.0

Bulk/Fine:F