hGLP-2(1-33,M10Y)   Click here for help

GtoPdb Ligand ID: 11804

Compound class: Peptide or derivative
Comment: The methionine in position 10 of human GLP-2(1-33) has been substituted with tyrosine (M10Y) to enable oxidative iodination of the peptide and generation of a [125I]-labelled radioligand that is useful for studying basic GLP-2R pharmacology [1].
2D Structure
Click here for help

2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

✖
Click here for structure editor
SMILES / InChI / InChIKey
Click here for help

SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

✖
Canonical SMILES NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)[C@H](O)C)[C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)N)C)CC(=O)O)CO)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)Cc1ccc(cc1)O)CC(=O)N)CC(C)C)CC(=O)O)CC(=O)N)CC(C)C)C)C)CCCNC(=N)N)CC(=O)O)Cc1ccccc1)CC(=O)N)CC(C)C)CCC(=O)N
Isomeric SMILES NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChI InChI=1S/C169H254N44O56/c1-21-79(11)130(161(261)190-100(48-50-119(172)220)145(245)211-134(86(18)216)165(265)189-98(42-33-34-52-170)144(244)207-133(82(14)24-4)164(264)213-135(87(19)217)166(266)205-116(168(268)269)69-129(235)236)208-156(256)104(56-78(9)10)193-150(250)108(60-92-70-180-97-41-32-31-40-95(92)97)197-152(252)110(63-121(174)222)204-162(262)131(80(12)22-2)209-157(257)107(58-90-38-29-26-30-39-90)195-154(254)114(67-127(231)232)200-142(242)99(43-35-53-179-169(176)177)187-138(238)84(16)183-137(237)83(15)185-146(246)102(54-76(5)6)192-151(251)109(62-120(173)221)198-155(255)115(68-128(233)234)201-147(247)103(55-77(7)8)203-163(263)132(81(13)23-3)210-167(267)136(88(20)218)212-158(258)111(64-122(175)223)199-148(248)106(59-91-44-46-94(219)47-45-91)194-143(243)101(49-51-124(225)226)188-153(253)113(66-126(229)230)202-160(260)118(74-215)206-149(249)105(57-89-36-27-25-28-37-89)196-159(259)117(73-214)186-123(224)72-181-141(241)112(65-125(227)228)191-139(239)85(17)184-140(240)96(171)61-93-71-178-75-182-93/h25-32,36-41,44-47,70-71,75-88,96,98-118,130-136,180,214-219H,21-24,33-35,42-43,48-69,72-74,170-171H2,1-20H3,(H2,172,220)(H2,173,221)(H2,174,222)(H2,175,223)(H,178,182)(H,181,241)(H,183,237)(H,184,240)(H,185,246)(H,186,224)(H,187,238)(H,188,253)(H,189,265)(H,190,261)(H,191,239)(H,192,251)(H,193,250)(H,194,243)(H,195,254)(H,196,259)(H,197,252)(H,198,255)(H,199,248)(H,200,242)(H,201,247)(H,202,260)(H,203,263)(H,204,262)(H,205,266)(H,206,249)(H,207,244)(H,208,256)(H,209,257)(H,210,267)(H,211,245)(H,212,258)(H,213,264)(H,225,226)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,268,269)(H4,176,177,179)/t79-,80-,81-,82-,83-,84-,85-,86+,87+,88+,96-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,130-,131-,132-,133-,134-,135-,136-/m0/s1
InChI Key BONVCUWVEHTDCR-NTNVLEAHSA-N
Classification Click here for help
Compound class Peptide or derivative
Database Links Click here for help
GtoPdb PubChem SID 458923839
PubChem CID 162366975
Search Google for chemical match using the InChIKey BONVCUWVEHTDCR-NTNVLEAHSA-N
Search Google for chemicals with the same backbone BONVCUWVEHTDCR
UniChem Compound Search for chemical match using the InChIKey BONVCUWVEHTDCR-NTNVLEAHSA-N
UniChem Connectivity Search for chemical match using the InChIKey BONVCUWVEHTDCR-NTNVLEAHSA-N