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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H53N7O6.2C2H4O2
Molecular Weight 811.9639
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMDAKEFALIN DIACETATE

SMILES

CC(O)=O.CC(O)=O.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=LEANGJPBVHJNDZ-DTAFVHCRSA-N
InChI=1S/C37H53N7O6.2C2H4O2/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;2*1-2(3)4/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);2*1H3,(H,3,4)/t27-,28+,29-,30-,31-,32-;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
AMDAKEFALIN DIACETATE
Common Name English
3,6-DIAZABICYCLO(3.1.1)HEPTANE-3-ACETIC ACID, 6-(D-PHENYLALANYL-D-PHENYLALANYL-D-LEUCYL-D-LYSYL)-, ACETATE (1:2)
Systematic Name English
Code System Code Type Description
CAS
2253747-72-5
Created by admin on Sat Dec 16 15:30:03 GMT 2023 , Edited by admin on Sat Dec 16 15:30:03 GMT 2023
PRIMARY
FDA UNII
73J9AQE4VF
Created by admin on Sat Dec 16 15:30:03 GMT 2023 , Edited by admin on Sat Dec 16 15:30:03 GMT 2023
PRIMARY
PUBCHEM
145996703
Created by admin on Sat Dec 16 15:30:03 GMT 2023 , Edited by admin on Sat Dec 16 15:30:03 GMT 2023
PRIMARY