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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27N7O
Molecular Weight 405.4961
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYPRIDINA LUCIFERIN

SMILES

CC[C@H](C)C1=NC2=C(CCCNC(N)=N)NC(=CN2C1=O)C3=CNC4=CC=CC=C34

InChI

InChIKey=ZWPWSXGBDMGKKS-ZDUSSCGKSA-N
InChI=1S/C22H27N7O/c1-3-13(2)19-21(30)29-12-18(15-11-26-16-8-5-4-7-14(15)16)27-17(20(29)28-19)9-6-10-25-22(23)24/h4-5,7-8,11-13,26-27H,3,6,9-10H2,1-2H3,(H4,23,24,25)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H27N7O
Molecular Weight 405.4961
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
761TM14Y84
Record Status Validated (UNII)
Record Version