Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C175H300N56O51.C2H4O2.H2O |
Molecular Weight | 4082.6663 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 35 / 35 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C)C(N)=O
InChI
InChIKey=VLIPYBWIOIEPHE-LVNOSFOVSA-N
InChI=1S/C175H300N56O51.C2H4O2.H2O/c1-24-93(20)138(230-169(279)127(80-233)227-143(253)101(37-26-30-56-177)201-130(237)78-196-142(252)100(36-25-29-55-176)202-165(275)124(73-135(246)247)226-164(274)122(71-98-76-191-82-198-98)223-162(272)120(69-91(16)17)220-160(270)117(66-88(10)11)216-151(261)107(43-49-128(181)235)209-163(273)121(70-97-75-190-81-197-97)222-154(264)112(48-54-134(244)245)212-168(278)126(79-232)228-170(280)137(92(18)19)229-141(251)94(21)180)171(281)213-108(44-50-129(182)236)152(262)225-125(74-136(248)249)166(276)221-113(62-84(2)3)155(265)207-106(42-35-61-195-175(188)189)145(255)205-104(40-33-59-193-173(184)185)144(254)206-105(41-34-60-194-174(186)187)146(256)208-111(47-53-133(242)243)153(263)217-118(67-89(12)13)159(269)219-115(64-86(6)7)157(267)211-109(45-51-131(238)239)149(259)203-102(38-27-31-57-178)147(257)214-116(65-87(8)9)158(268)218-114(63-85(4)5)156(266)210-110(46-52-132(240)241)150(260)204-103(39-28-32-58-179)148(258)215-119(68-90(14)15)161(271)224-123(72-99-77-192-83-199-99)167(277)231-139(96(23)234)172(282)200-95(22)140(183)250;1-2(3)4;/h75-77,81-96,100-127,137-139,232-234H,24-74,78-80,176-180H2,1-23H3,(H2,181,235)(H2,182,236)(H2,183,250)(H,190,197)(H,191,198)(H,192,199)(H,196,252)(H,200,282)(H,201,237)(H,202,275)(H,203,259)(H,204,260)(H,205,255)(H,206,254)(H,207,265)(H,208,256)(H,209,273)(H,210,266)(H,211,267)(H,212,278)(H,213,281)(H,214,257)(H,215,258)(H,216,261)(H,217,263)(H,218,268)(H,219,269)(H,220,270)(H,221,276)(H,222,264)(H,223,272)(H,224,271)(H,225,262)(H,226,274)(H,227,253)(H,228,280)(H,229,251)(H,230,279)(H,231,277)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195);1H3,(H,3,4);1H2/t93-,94-,95-,96+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,137-,138-,139-;;/m0../s1
Semparatide (previously known as RS-66271) was developed as an analog of parathyroid hormone-related protein (PTHrP) with shortening the time for fracture healing. Experiments on animals have shown that this compound was an effective therapy for preventing impaired bone healing caused by prednisone. Clinical trials with postmenopausal osteoporotic women have revealed that semparatide cause sustained increases in the spine. However, further, development appears to have been discontinued by Roche.
Originator
Approval Year
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NCI_THESAURUS |
C1185
Created by
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1ZW47377XL
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JJ-50
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CHEMBL2108879
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16131054
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188106-30-1
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DTXSID40172154
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C152333
Created by
admin on Sat Dec 16 15:13:22 GMT 2023 , Edited by admin on Sat Dec 16 15:13:22 GMT 2023
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PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD