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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H38N2OS
Molecular Weight 366.604
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KALKITOXIN

SMILES

CC[C@@H](C)C(=O)N(C)CC[C@@H](C)C[C@H](C)[C@H](C)CC1=N[C@@H](CS1)C=C

InChI

InChIKey=PHYRFZDJEDWWKT-UJWQCDCRSA-N
InChI=1S/C21H38N2OS/c1-8-16(4)21(24)23(7)11-10-15(3)12-17(5)18(6)13-20-22-19(9-2)14-25-20/h9,15-19H,2,8,10-14H2,1,3-7H3/t15-,16-,17+,18-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H38N2OS
Molecular Weight 366.604
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
79JC6ZX2R6
Record Status Validated (UNII)
Record Version