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Details

Stereochemistry MIXED
Molecular Formula C21H31N3O8S
Molecular Weight 485.551
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GC-376 FREE ACID

SMILES

CC(C)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CC2CCNC2=O)C(O)S(O)(=O)=O

InChI

InChIKey=BSPZFJDYQHDZNR-ASPXRTSYSA-N
InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15?,16-,17-,20?/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H30N3O8S
Molecular Weight 484.543
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 2 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
O9H5KY11SV
Record Status Validated (UNII)
Record Version