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CHEBI:234348 - Vasopressin Dimer

Default Structure
ChEBI IDCHEBI:234348
ChEBI NameVasopressin Dimer
Stars
Definitionasopressin Dimer (anti-parallel) TFA is an anti-parallel dimer of Vasopressin (HY-B1811). Vasopressin Dimer (anti-parallel) TFA can activate four G protein-coupled receptors, V1aR, V1bR, V2R, and OTR
Submitteraxiao
DownloadsMolfile
FormulaC2HF3O2.C92H130N30O24S4
Net Charge0
Average Mass2282.528
Monoisotopic Mass2280.86857
SMILESN=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C92H130N30O24S4.C2HF3O2/c93-53-43-147-149-46-66(90(146)122-34-10-18-68(122)88(144)112-56(16-8-32-106-92(103)104)78(134)108-42-74(100)130)120-86(142)64(40-72(98)128)118-80(136)58(28-30-70(96)126)110-82(138)62(36-48-13-5-2-6-14-48)116-84(140)60(38-50-21-25-52(124)26-22-50)114-76(132)54(94)44-148-150-45-65(89(145)121-33-9-17-67(121)87(143)111-55(15-7-31-105-91(101)102)77(133)107-41-73(99)129)119-85(141)63(39-71(97)127)117-79(135)57(27-29-69(95)125)109-81(137)61(35-47-11-3-1-4-12-47)115-83(139)59(113-75(53)131)37-49-19-23-51(123)24-20-49;3-2(4,5)1(6)7/h1-6,11-14,19-26,53-68,123-124H,7-10,15-18,27-46,93-94H2,(H2,95,125)(H2,96,126)(H2,97,127)(H2,98,128)(H2,99,129)(H2,100,130)(H,107,133)(H,108,134)(H,109,137)(H,110,138)(H,111,143)(H,112,144)(H,113,131)(H,114,132)(H,115,139)(H,116,140)(H,117,135)(H,118,136)(H,119,141)(H,120,142)(H4,101,102,105)(H4,103,104,106);(H,6,7)/t53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-;/m0./s1
InChIKeyCCLCSNXAGXYVQM-SMPGYXRPSA-N
ChEBI Ontology
Outgoing Relation(s)
Vasopressin Dimer (CHEBI:234348) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
CS-0835663SUBMITTER
HY-P5214SUBMITTER