FLEX

CAS No.
CCD No.
CCD02000673
Formula
C205 H292 N50 O66 S
MolWeight
4544.91

Basic Information

Product Name: FLEX
English Synonyms: FLEX ; HGEGTFTSDLSKQMEEEAVRLFIE-(TRP-S-FAM)-LKNGGPSSGAPPPS-NH2 ; FLUORESCEIN-TRP25-EXENDIN-4 ; H-HIS-GLY-GLU-GLY-THR-PHE-THR-SER-ASP-LEU-SER-LYS-GLN-MET-GLU-GLU-GLU-ALA-VAL-ARG-LEU-PHE-ILE-GLU-(TRP-S-FAM)-LEU-LYS-ASN-GLY-GLY-PRO-SER-SER-GLY-ALA-PRO-PRO-PRO-SER-NH2
MDL Number.: MFCD13185269
H bond acceptor: 116
H bond donor: 59
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cn(c2c1cccc2)C(=O)c3ccc4c(c3)C(=O)OC45c6ccc(cc6Oc7c5ccc(c7)O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N8CCC[C@H]8C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N9CCC[C@H]9C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)N
InChi: InChI=1S/C205H292N50O66S/c1-16-103(10)165(196(312)233-129(58-64-162(280)281)181(297)238-136(80-111-92-255(144-42-24-23-38-115(111)144)200(316)110-47-50-117-116(79-110)203(319)321-205(117)118-51-48-113(263)82-149(118)320-150-83-114(264)49-52-119(150)205)186(302)235-131(74-99(2)3)183(299)225-122(40-26-28-67-207)176(292)239-137(84-152(210)266)172(288)218-87-153(267)216-91-157(271)251-69-30-43-145(251)193(309)245-142(96-259)192(308)243-140(94-257)173(289)220-88-154(268)222-105(12)199(315)253-71-32-45-147(253)202(318)254-72-33-46-148(254)201(317)252-70-31-44-146(252)194(310)242-139(93-256)168(211)284)249-188(304)134(77-108-34-19-17-20-35-108)237-184(300)132(75-100(4)5)234-177(293)123(41-29-68-215-204(212)213)232-195(311)164(102(8)9)248-169(285)104(11)223-174(290)126(55-61-159(274)275)228-179(295)127(56-62-160(276)277)229-180(296)128(57-63-161(278)279)230-182(298)130(65-73-322-15)231-178(294)125(53-59-151(209)265)227-175(291)121(39-25-27-66-206)226-190(306)141(95-258)244-185(301)133(76-101(6)7)236-187(303)138(85-163(282)283)240-191(307)143(97-260)246-198(314)167(107(14)262)250-189(305)135(78-109-36-21-18-22-37-109)241-197(313)166(106(13)261)247-156(270)90-219-171(287)124(54-60-158(272)273)224-155(269)89-217-170(286)120(208)81-112-86-214-98-221-112/h17-24,34-38,42,47-52,79,82-83,86,92,98-107,120-143,145-148,164-167,256-264H,16,25-33,39-41,43-46,53-78,80-81,84-85,87-91,93-97,206-208H2,1-15H3,(H2,209,265)(H2,210,266)(H2,211,284)(H,214,221)(H,216,267)(H,217,286)(H,218,288)(H,219,287)(H,220,289)(H,222,268)(H,223,290)(H,224,269)(H,225,299)(H,226,306)(H,227,291)(H,228,295)(H,229,296)(H,230,298)(H,231,294)(H,232,311)(H,233,312)(H,234,293)(H,235,302)(H,236,303)(H,237,300)(H,238,297)(H,239,292)(H,240,307)(H,241,313)(H,242,310)(H,243,308)(H,244,301)(H,245,309)(H,246,314)(H,247,270)(H,248,285)(H,249,304)(H,250,305)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H4,212,213,215)/t103-,104-,105-,106+,107+,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,145-,146-,147-,148-,164-,165-,166-,167-/m0/s1
InChiKey: InChIKey=UZCLVMPWCLFCDJ-VLZDRNSASA-N

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