H-PHE-VAL-PRO-ILE-PHE-THR-TYR-GLY-GLU-LEU-GLN-ARG-NLE-GLU-GLU-LYS-GLU-ARG-ASN-LYS-GLY-GLN-OH

50881-15-7

MFCD00466940

C121 H189 N33 O36

2682.02

InChI=1S/C121H189N33O36/c1-9-11-29-73(103(173)143-81(44-50-96(168)169)111(181)145-80(43-49-95(166)167)109(179)140-74(31-19-21-52-123)104(174)144-79(42-48-94(164)165)110(180)142-76(33-23-54-133-121(130)131)106(176)148-86(60-90(127)159)113(183)138-72(30-18-20-51-122)101(171)134-62-92(161)137-82(119(189)190)40-46-89(126)158)139-105(175)75(32-22-53-132-120(128)129)141-108(178)78(39-45-88(125)157)146-112(182)83(56-63(3)4)147-107(177)77(41-47-93(162)163)136-91(160)61-135-102(172)84(59-69-35-37-70(156)38-36-69)149-117(187)99(66(8)155)153-114(184)85(58-68-27-16-13-17-28-68)150-116(186)98(65(7)10-2)152-115(185)87-34-24-55-154(87)118(188)97(64(5)6)151-100(170)71(124)57-67-25-14-12-15-26-67/h12-17,25-28,35-38,63-66,71-87,97-99,155-156H,9-11,18-24,29-34,39-62,122-124H2,1-8H3,(H2,125,157)(H2,126,158)(H2,127,159)(H,134,171)(H,135,172)(H,136,160)(H,137,161)(H,138,183)(H,139,175)(H,140,179)(H,141,178)(H,142,180)(H,143,173)(H,144,174)(H,145,181)(H,146,182)(H,147,177)(H,148,176)(H,149,187)(H,150,186)(H,151,170)(H,152,185)(H,153,184)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,189,190)(H4,128,129,132)(H4,130,131,133)/t65-,66+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,97-,98-,99-/m0/s1

InChIKey=IXNZKNVZJFBWNT-HYOAWBISSA-N

CCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc4ccccc4)N

H bond donor:39

H bond acceptor:69

XLogP3:0.0

Bulk/Fine:F