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Details

Stereochemistry ABSOLUTE
Molecular Formula C60H87N19O13
Molecular Weight 1282.4523
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NPC-567

SMILES

N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI

InChIKey=RBIXVHPHNGXTCI-QJTYZATASA-N
InChI=1S/C60H87N19O13/c61-39(20-10-24-68-58(62)63)49(83)73-40(21-11-25-69-59(64)65)55(89)78-27-13-23-46(78)56(90)79-33-38(81)31-47(79)54(88)71-32-48(82)72-42(28-35-14-4-1-5-15-35)50(84)77-45(34-80)53(87)76-44(30-37-18-8-3-9-19-37)52(86)75-43(29-36-16-6-2-7-17-36)51(85)74-41(57(91)92)22-12-26-70-60(66)67/h1-9,14-19,38-47,80-81H,10-13,20-34,61H2,(H,71,88)(H,72,82)(H,73,83)(H,74,85)(H,75,86)(H,76,87)(H,77,84)(H,91,92)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t38-,39-,40+,41+,42+,43+,44-,45+,46+,47+/m1/s1

HIDE SMILES / InChI

Molecular Formula C60H87N19O13
Molecular Weight 1282.4523
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Differential pharmacology of cloned human and mouse B2 bradykinin receptors.
1994 Jan
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:39:54 UTC 2023
Edited
by admin
on Fri Dec 15 19:39:54 UTC 2023
Record UNII
DV64B0PLEH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NPC-567
Common Name English
NPC 567
Common Name English
BIM-31006
Code English
BRADYKININ, N2-D-ARGINYL-3-((4R)-4-HYDROXY-L-PROLINE)-7-D-PHENYLALANINE-
Systematic Name English
Code System Code Type Description
CHEBI
73294
Created by admin on Fri Dec 15 19:39:54 UTC 2023 , Edited by admin on Fri Dec 15 19:39:54 UTC 2023
PRIMARY
FDA UNII
DV64B0PLEH
Created by admin on Fri Dec 15 19:39:54 UTC 2023 , Edited by admin on Fri Dec 15 19:39:54 UTC 2023
PRIMARY
PUBCHEM
119343
Created by admin on Fri Dec 15 19:39:54 UTC 2023 , Edited by admin on Fri Dec 15 19:39:54 UTC 2023
PRIMARY
CAS
109333-26-8
Created by admin on Fri Dec 15 19:39:54 UTC 2023 , Edited by admin on Fri Dec 15 19:39:54 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Binding Assay
IC50
Related Record Type Details
ACTIVE MOIETY