Teduglutide-d8 (Leu-d3+Phe-d5)

Product Specifications

Synonyms

1: PN: US20130072430 SEQID: 4 Claimed Protein-d8; ALX 0600-d8; Gattex-d8; Glucagon-like Peptide II [2-Glycine] (Human)-d8; Revestive-d8;

Hazard Statement

Not a hazardous substance according to GHS.

Smiles

[H]N[C@@H](CC1=CN=CN1)C(NCC(N[C@@H](CC(O)=O)C(NCC(N[C@H](C(N[C@@H](CC2=CC=CC=C2)C(N[C@H](C(N[C@@H](CC(O)=O)C(N[C@H](C(N[C@@H](CCSC)C(N[C@H](C(N[C@H](C(N[C@@H]([C@H](CC)C)C(N[C@H](C(N[C@@H](CC(O)=O)C(N[C@H](C(N[C@H](C(N[C@@H](C)C(N[C@@H](C)C(N[C@H](C(N[C@@H](CC(O)=O)C(N[C@@H](CC3=C([2H])C([2H])=C([2H])C([2H])=C3[2H])C(N[C@@H]([C@H](CC)C)C(N[C@H](C(N[C@@H](CC4=CNC5=C4C=CC=C5)C(N[C@H](C(N[C@@H]([C@H](CC)C)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]([C@H](CC)C)C(N[C@H](C(N[C@@H](CC(O)=O)C(O)=O)=O)[C@@H](C)O)=O)=O)CCCCN)=O)[C@@H](C)O)=O)CCC(N)=O)=O)=O)CC(C([2H])([2H])[2H])C)=O)=O)CC(N)=O)=O)=O)=O)=O)CCCNC(N)=N)=O)=O)=O)CC(C)C)=O)CC(N)=O)=O)=O)CC(C)C)=O)=O)[C@@H](C)O)=O)CC(N)=O)=O)=O)CCC(O)=O)=O)=O)CO)=O)=O)CO)=O)=O)=O)=O.OC(C(F)(F)F)=O.O

Molecular Formula

C164H244D8N44O55S • C2HF3O2 • x(H2O)

Molecular Weight

3760.081140218

InChI

InChI=1S/C164H252N44O55S.C2HF3O2.H2O/c1-21-77(11)126(156(255)187-95(44-46-114(167)214)141(240)206-130(83(17)211)160(259)186-93(42-33-34-49-165)140(239)202-129(80(14)24-4)159(258)208-131(84(18)212)161(260)200-111(163(262)263)66-125(230)231)203-151(250)100(54-76(9)10)189-145(244)103(57-88-67-175-92-41-32-31-40-90(88)92)192-147(246)105(60-116(169)216)199-157(256)127(78(12)22-2)204-152(251)102(56-87-38-29-26-30-39-87)190-149(248)109(64-123(226)227)195-137(236)94(43-35-50-174-164(171)172)183-134(233)82(16)179-133(232)81(15)180-142(241)98(52-74(5)6)188-146(245)104(59-115(168)215)194-150(249)110(65-124(228)229)196-143(242)99(53-75(7)8)198-158(257)128(79(13)23-3)205-162(261)132(85(19)213)207-153(252)106(61-117(170)217)193-139(238)97(48-51-264-20)185-138(237)96(45-47-120(220)221)184-148(247)108(63-122(224)225)197-155(254)113(72-210)201-144(243)101(55-86-36-27-25-28-37-86)191-154(253)112(71-209)182-119(219)70-177-136(235)107(62-121(222)223)181-118(218)69-176-135(234)91(166)58-89-68-173-73-178-89;3-2(4,5)1(6)7;/h25-32,36-41,67-68,73-85,91,93-113,126-132,175,209-213H,21-24,33-35,42-66,69-72,165-166H2,1-20H3,(H2,167,214)(H2,168,215)(H2,169,216)(H2,170,217)(H,173,178)(H,176,234)(H,177,235)(H,179,232)(H,180,241)(H,181,218)(H,182,219)(H,183,233)(H,184,247)(H,185,237)(H,186,259)(H,187,255)(H,188,245)(H,189,244)(H,190,248)(H,191,253)(H,192,246)(H,193,238)(H,194,249)(H,195,236)(H,196,242)(H,197,254)(H,198,257)(H,199,256)(H,200,260)(H,201,243)(H,202,239)(H,203,250)(H,204,251)(H,205,261)(H,206,240)(H,207,252)(H,208,258)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,262,263)(H4,171,172,174);(H,6,7);1H2/t77-,78-,79-,80-,81-,82-,83+,84+,85+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,126-,127-,128-,129-,130-,131-,132-;;/m0../s1/i9D3,26D,29D,30D,38D,39D;;/t76?,77-,78-,79-,80-,81-,82-,83+,84+,85+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,126-,127-,128-,129-,130-,131-,132-;;