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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H31N3O4S
Molecular Weight 445.575
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CGS-35601

SMILES

CC(C)C[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](CC2=CNC3=C2C=CC=C3)C(O)=O

InChI

InChIKey=YFAHICISBQLBQH-OALUTQOASA-N
InChI=1S/C23H31N3O4S/c1-14(2)11-19(31)20(27)26-23(9-5-6-10-23)22(30)25-18(21(28)29)12-15-13-24-17-8-4-3-7-16(15)17/h3-4,7-8,13-14,18-19,24,31H,5-6,9-12H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)/t18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H31N3O4S
Molecular Weight 445.575
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:03:22 GMT 2023
Edited
by admin
on Sat Dec 16 08:03:22 GMT 2023
Record UNII
7D7KS7Y7JY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CGS-35601
Common Name English
L-TRYPTOPHAN, N-((1-(((2S)-2-MERCAPTO-4-METHYL-1-OXOPENTYL)AMINO)CYCLOPENTYL)CARBONYL)-
Systematic Name English
1H-INDOLE-3-PROPANOIC ACID, .ALPHA.-(((1-(((2S)-2-MERCAPTO-4-METHYL-1-OXOPENTYL)AMINO)CYCLOPENTYL)CARBONYL)AMINO)-, (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11464980
Created by admin on Sat Dec 16 08:03:22 GMT 2023 , Edited by admin on Sat Dec 16 08:03:22 GMT 2023
PRIMARY
CAS
849066-09-7
Created by admin on Sat Dec 16 08:03:22 GMT 2023 , Edited by admin on Sat Dec 16 08:03:22 GMT 2023
PRIMARY
FDA UNII
7D7KS7Y7JY
Created by admin on Sat Dec 16 08:03:22 GMT 2023 , Edited by admin on Sat Dec 16 08:03:22 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY