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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H11ClN2O5S
Molecular Weight 318.733
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ACETYL-S-(2-CHLORO-4-NITROPHENYL)-L-CYSTEINE

SMILES

CC(=O)N[C@@H](CSC1=CC=C(C=C1Cl)[N+]([O-])=O)C(O)=O

InChI

InChIKey=DGTXBKWEIIAZCI-VIFPVBQESA-N
InChI=1S/C11H11ClN2O5S/c1-6(15)13-9(11(16)17)5-20-10-3-2-7(14(18)19)4-8(10)12/h2-4,9H,5H2,1H3,(H,13,15)(H,16,17)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H11ClN2O5S
Molecular Weight 318.733
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Substance Class Chemical
Record UNII
67CFQ42213
Record Status Validated (UNII)
Record Version