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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H44N4O7
Molecular Weight 524.6502
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RGD-039

SMILES

CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(O)=O)C(=O)CCCC2CCNCC2

InChI

InChIKey=RCNHPBQFWAPIOX-SFTDATJTSA-N
InChI=1S/C26H44N4O7/c1-2-30(23(32)10-6-9-18-11-13-27-14-12-18)17-22(31)28-20(16-24(33)34)25(35)29-21(26(36)37)15-19-7-4-3-5-8-19/h18-21,27H,2-17H2,1H3,(H,28,31)(H,29,35)(H,33,34)(H,36,37)/t20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H44N4O7
Molecular Weight 524.6502
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:16:19 GMT 2023
Edited
by admin
on Sat Dec 16 10:16:19 GMT 2023
Record UNII
7X7F8BX5NY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RGD-039
Code English
L-ALANINE, 3-CYCLOHEXYL-N-(N-(N-ETHYL-N-(1-OXO-4-(4-PIPERIDINYL)BUTYL)GLYCYL)-L-.ALPHA.-ASPARTYL)-
Systematic Name English
RGD039
Code English
(3S)-3-(((1S)-1-CARBOXY-2-CYCLOHEXYLETHYL)CARBAMOYL)-3-(2-(N-ETHYL-4-(PIPERIDIN-4-YL)BUTANAMIDO)ACETAMIDO)PROPANOIC ACID
Systematic Name English
L-ALANINE, N-ETHYL-N-(1-OXO-4-(4-PIPERIDINYL)BUTYL)GLYCYL-L-.ALPHA.-ASPARTYL-3-CYCLOHEXYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
9984308
Created by admin on Sat Dec 16 10:16:19 GMT 2023 , Edited by admin on Sat Dec 16 10:16:19 GMT 2023
PRIMARY
CAS
169512-45-2
Created by admin on Sat Dec 16 10:16:19 GMT 2023 , Edited by admin on Sat Dec 16 10:16:19 GMT 2023
PRIMARY
FDA UNII
7X7F8BX5NY
Created by admin on Sat Dec 16 10:16:19 GMT 2023 , Edited by admin on Sat Dec 16 10:16:19 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY