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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H23N5O3
Molecular Weight 297.3534
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIPHTHAMIDE

SMILES

C[N+](C)(C)[C@@H](CCC1=NC=C(C[C@H](N)C([O-])=O)N1)C(N)=O

InChI

InChIKey=FOOBQHKMWYGHCE-UWVGGRQHSA-N
InChI=1S/C13H23N5O3/c1-18(2,3)10(12(15)19)4-5-11-16-7-8(17-11)6-9(14)13(20)21/h7,9-10H,4-6,14H2,1-3H3,(H3-,15,16,17,19,20,21)/t9-,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H23N5O3
Molecular Weight 297.3534
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
86L3ZZ4408
Record Status Validated (UNII)
Record Version