Somatostatin, pro- | CAS No. 74315-46-1

S(C)CCC(C(NC(C)C(N1CCCC1C(NC(C(NC(C(NC(C(NC(C(NC(C(NCC(NC1CSSCC(C(=O)O)NC(C(CO)NC(C(C(C)O)NC(C(CC2C=CC=CC=2)NC(C(C(C)O)NC(C(CCCCN)NC(C(CC2=CNC3C=CC=CC2=3)NC(C(CC2C=CC=CC=2)NC(C(CC2C=CC=CC=2)NC(C(CC(N)=O)NC(C(CCCCN)NC1=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)C)=O)CCCCN)=O)CCCNC(=N)N)=O)CCC(=O)O)=O)CCCNC(=N)N)=O)=O)=O)NC(C(C)NC(C1CCCN1C(C(CC(N)=O)NC(C(CO)NC(C(CC(N)=O)NC(C(C)NC(C(CO)N)=O)=O)=O)=O)=O)=O)=O

InChI

1S/C137H207N41O39S3/c1-69(154-113(194)82(37-19-22-47-138)159-115(196)85(40-25-50-149-136(145)146)160-118(199)87(44-45-106(188)189)163-116(197)86(41-26-51-150-137(147)148)164-130(211)101-43-27-52-177(101)133(214)72(4)156-114(195)88(46-54-218-7)158-110(191)71(3)155-129(210)100-42-28-53-178(100)134(215)95(61-104(144)186)171-126(207)96(65-180)172-124(205)93(59-102(142)184)165-111(192)70(2)153-112(193)80(141)64-179)109(190)152-63-105(187)157-98-67-219-220-68-99(135(216)217)174-127(208)97(66-181)173-132(213)108(74(6)183)176-125(206)91(57-77-33-15-10-16-34-77)170-131(212)107(73(5)182)175-119(200)84(39-21-24-49-140)161-122(203)92(58-78-62-151-81-36-18-17-35-79(78)81)168-121(202)90(56-76-31-13-9-14-32-76)166-120(201)89(55-75-29-11-8-12-30-75)167-123(204)94(60-103(143)185)169-117(198)83(162-128(98)209)38-20-23-48-139/h8-18,29-36,62,69-74,80,82-101,107-108,151,179-183H,19-28,37-61,63-68,138-141H2,1-7H3,(H2,142,184)(H2,143,185)(H2,144,186)(H,152,190)(H,153,193)(H,154,194)(H,155,210)(H,156,195)(H,157,187)(H,158,191)(H,159,196)(H,160,199)(H,161,203)(H,162,209)(H,163,197)(H,164,211)(H,165,192)(H,166,201)(H,167,204)(H,168,202)(H,169,198)(H,170,212)(H,171,207)(H,172,205)(H,173,213)(H,174,208)(H,175,200)(H,176,206)(H,188,189)(H,216,217)(H4,145,146,149)(H4,147,148,150)

InChIKey

GGYTXJNZMFRSLX-UHFFFAOYSA-N

LogP

-16.045460000000038

Topological Polar Surface Area

1316.8099999999997 Ų

Hydrogen Bond Donor/Acceptor

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