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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18ClN5O3S
Molecular Weight 419.885
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GCC-4401C FREE BASE

SMILES

ClC1=CC=C(S1)C(=O)NC[C@H]2CN(C(=O)O2)C3=CC=C(C=C3)N4CCNC=N4

InChI

InChIKey=ZFDKSINSDZTWFU-AWEZNQCLSA-N
InChI=1S/C18H18ClN5O3S/c19-16-6-5-15(28-16)17(25)21-9-14-10-23(18(26)27-14)12-1-3-13(4-2-12)24-8-7-20-11-22-24/h1-6,11,14H,7-10H2,(H,20,22)(H,21,25)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H18ClN5O3S
Molecular Weight 419.885
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

Substance Class Chemical
Record UNII
I636054KKA
Record Status Validated (UNII)
Record Version