U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C37H53N7O6
Molecular Weight 691.86
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMDAKEFALIN

SMILES

CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC2=CC=CC=C2)C(=O)N[C@H](CCCCN)C(=O)N3[C@H]4C[C@@H]3CN(CC(O)=O)C4

InChI

InChIKey=UYBUZMHWJZOLBG-YJROXGMRSA-N
InChI=1S/C37H53N7O6/c1-24(2)17-31(35(48)40-30(15-9-10-16-38)37(50)44-27-20-28(44)22-43(21-27)23-33(45)46)42-36(49)32(19-26-13-7-4-8-14-26)41-34(47)29(39)18-25-11-5-3-6-12-25/h3-8,11-14,24,27-32H,9-10,15-23,38-39H2,1-2H3,(H,40,48)(H,41,47)(H,42,49)(H,45,46)/t27-,28+,29-,30-,31-,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula C37H53N7O6
Molecular Weight 691.86
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:30:29 GMT 2023
Edited
by admin
on Sat Dec 16 15:30:29 GMT 2023
Record UNII
4CGN6NS048
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMDAKEFALIN
INN  
Official Name English
(6-(D-PHENYLALANYL-D-PHENYLALANYL-D-LEUCYL-D-LYSYL)-3,6-DIAZABICYCLO(3.1.1)HEPTAN-3-YL)ACETIC ACID
Common Name English
amdakefalin [INN]
Common Name English
3,6-DIAZABICYCLO(3.1.1)HEPTANE-3-ACETIC ACID, 6-(D-PHENYLALANYL-D-PHENYLALANYL-D-LEUCYL-D-LYSYL)-
Common Name English
Code System Code Type Description
INN
11316
Created by admin on Sat Dec 16 15:30:29 GMT 2023 , Edited by admin on Sat Dec 16 15:30:29 GMT 2023
PRIMARY
FDA UNII
4CGN6NS048
Created by admin on Sat Dec 16 15:30:29 GMT 2023 , Edited by admin on Sat Dec 16 15:30:29 GMT 2023
PRIMARY
SMS_ID
300000024167
Created by admin on Sat Dec 16 15:30:29 GMT 2023 , Edited by admin on Sat Dec 16 15:30:29 GMT 2023
PRIMARY
NCI_THESAURUS
C175054
Created by admin on Sat Dec 16 15:30:29 GMT 2023 , Edited by admin on Sat Dec 16 15:30:29 GMT 2023
PRIMARY
CAS
2253747-71-4
Created by admin on Sat Dec 16 15:30:29 GMT 2023 , Edited by admin on Sat Dec 16 15:30:29 GMT 2023
PRIMARY
PUBCHEM
145996668
Created by admin on Sat Dec 16 15:30:29 GMT 2023 , Edited by admin on Sat Dec 16 15:30:29 GMT 2023
PRIMARY
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