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Details

Stereochemistry ABSOLUTE
Molecular Formula C52H74N14O12S2
Molecular Weight 1151.361
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SKF-100273

SMILES

COC1=CC=C(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC4=CC=CC=C4)NC2=O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)C=C1

InChI

InChIKey=QVQOGNOOAMQKCE-ZTYVOHGWSA-N
InChI=1S/C52H74N14O12S2/c1-78-32-16-14-31(15-17-32)25-35-46(73)63-36(24-30-10-4-2-5-11-30)47(74)61-34(18-19-40(53)67)45(72)64-37(26-41(54)68)48(75)65-38(29-79-80-52(27-43(70)60-35)20-6-3-7-21-52)50(77)66-23-9-13-39(66)49(76)62-33(12-8-22-58-51(56)57)44(71)59-28-42(55)69/h2,4-5,10-11,14-17,33-39H,3,6-9,12-13,18-29H2,1H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,59,71)(H,60,70)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)(H4,56,57,58)/t33-,34-,35-,36-,37-,38-,39-/m0/s1

HIDE SMILES / InChI

Molecular Formula C52H74N14O12S2
Molecular Weight 1151.361
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Mapping peptide-binding domains of the human V1a vasopressin receptor with a photoactivatable linear peptide antagonist.
1997 Oct 17
Binding properties of a selective tritiated vasopressin V2 receptor antagonist, [H]-SR 121463.
2000 Oct
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:31:40 UTC 2023
Edited
by admin
on Fri Dec 15 16:31:40 UTC 2023
Record UNII
FFM269698K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SKF-100273
Common Name English
Glycinamide, N-[2-(1-mercaptocyclohexyl)acetyl]-O-methyl-L-tyrosyl-L-phenylalanyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-arginyl-, cyclic (1→5)-disulfide
Systematic Name English
((1-(.BETA.-MERCAPTO-.BETA.,.BETA.-CYCLOPENTAMETHYLENE PROPIONIC ACID), 2-(O-METHYL)TYROSINE))ARGININE VASOPRESSIN
Common Name English
[d(CH2)51,Tyr(Me)2]-AVP
Common Name English
Code System Code Type Description
FDA UNII
FFM269698K
Created by admin on Fri Dec 15 16:31:40 UTC 2023 , Edited by admin on Fri Dec 15 16:31:40 UTC 2023
PRIMARY
PUBCHEM
9833460
Created by admin on Fri Dec 15 16:31:40 UTC 2023 , Edited by admin on Fri Dec 15 16:31:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID601034755
Created by admin on Fri Dec 15 16:31:40 UTC 2023 , Edited by admin on Fri Dec 15 16:31:40 UTC 2023
PRIMARY
CAS
73168-24-8
Created by admin on Fri Dec 15 16:31:40 UTC 2023 , Edited by admin on Fri Dec 15 16:31:40 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
BINDING
IC50
Related Record Type Details
ACTIVE MOIETY