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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H44N4O7.C2HF3O2
Molecular Weight 638.6735
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RGD-039 MONOTRIFLUOROACETATE

SMILES

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

InChI

InChIKey=WXGXUYGDDJZIEA-GUTACTQSSA-N
InChI=1S/C26H44N4O7.C2HF3O2/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;3-2(4,5)1(6)7/h18-21,27H,2-17H2,1H3,(H,28,31)(H,29,35)(H,33,34)(H,36,37);(H,6,7)/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

Molecular Formula C2HF3O2
Molecular Weight 114.0233
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:22:25 GMT 2023
Edited
by admin
on Sat Dec 16 10:22:25 GMT 2023
Record UNII
W5TMD7YS4U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RGD-039 MONOTRIFLUOROACETATE
Common Name English
L-ALANINE, N-ETHYL-N-(1-OXO-4-(4-PIPERIDINYL)BUTYL)GLYCYL-L-.ALPHA.-ASPARTYL-3-CYCLOHEXYL-, MONO(TRIFLUOROACETATE)
Systematic Name English
L-ALANINE, 3-CYCLOHEXYL-N-(N-(N-ETHYL-N-(1-OXO-4-(4-PIPERIDINYL)BUTYL)GLYCYL)-L-.ALPHA.-ASPARTYL)-, MONO(TRIFLUOROACETATE)
Common Name English
Code System Code Type Description
PUBCHEM
10841797
Created by admin on Sat Dec 16 10:22:25 GMT 2023 , Edited by admin on Sat Dec 16 10:22:25 GMT 2023
PRIMARY
FDA UNII
W5TMD7YS4U
Created by admin on Sat Dec 16 10:22:25 GMT 2023 , Edited by admin on Sat Dec 16 10:22:25 GMT 2023
PRIMARY
CAS
169512-84-9
Created by admin on Sat Dec 16 10:22:25 GMT 2023 , Edited by admin on Sat Dec 16 10:22:25 GMT 2023
PRIMARY