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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H36N8O7.CH4O3S
Molecular Weight 656.708
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DMP-728

SMILES

CS(O)(=O)=O.CC[C@H]1NC(=O)C2=CC=CC(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)N(C)C1=O)=C2

InChI

InChIKey=CSRWGJAILKTYLJ-PWGAQZMISA-N
InChI=1S/C25H36N8O7.CH4O3S/c1-3-16-24(40)33(2)18(8-5-9-28-25(26)27)23(39)30-13-19(34)31-17(11-20(35)36)22(38)29-12-14-6-4-7-15(10-14)21(37)32-16;1-5(2,3)4/h4,6-7,10,16-18H,3,5,8-9,11-13H2,1-2H3,(H,29,38)(H,30,39)(H,31,34)(H,32,37)(H,35,36)(H4,26,27,28);1H3,(H,2,3,4)/t16-,17+,18+;/m1./s1

HIDE SMILES / InChI

Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C25H36N8O7
Molecular Weight 560.6027
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:23:11 GMT 2023
Edited
by admin
on Sat Dec 16 09:23:11 GMT 2023
Record UNII
0BN8UEO84E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DMP-728
Common Name English
CYCLO(N2-METHYL-L-ARGINYLGLYCYL-L-.ALPHA.-ASPARTYL-3-(AMINOMETHYL)BENZOYL-(2R)-2-AMINOBUTANOYL), MONOMETHANESULFONATE
Systematic Name English
Code System Code Type Description
CAS
155158-97-7
Created by admin on Sat Dec 16 09:23:11 GMT 2023 , Edited by admin on Sat Dec 16 09:23:11 GMT 2023
PRIMARY
FDA UNII
0BN8UEO84E
Created by admin on Sat Dec 16 09:23:11 GMT 2023 , Edited by admin on Sat Dec 16 09:23:11 GMT 2023
PRIMARY
PUBCHEM
9831047
Created by admin on Sat Dec 16 09:23:11 GMT 2023 , Edited by admin on Sat Dec 16 09:23:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID30935154
Created by admin on Sat Dec 16 09:23:11 GMT 2023 , Edited by admin on Sat Dec 16 09:23:11 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY