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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H38N6O10
Molecular Weight 510.5392
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEBRAMYCIN FACTOR 13

SMILES

[H][C@]3(O[C@@H]1[C@@H](N)C[C@@H](N)[C@H](O[C@@]2([H])O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@H]1O)O[C@H](CNC(N)=O)[C@@H](O)C[C@H]3N

InChI

InChIKey=BXUDMXDCTTUXLQ-PBSUHMDJSA-N
InChI=1S/C19H38N6O10/c20-5-1-6(21)16(35-18-13(29)11(23)12(28)10(4-26)33-18)14(30)15(5)34-17-7(22)2-8(27)9(32-17)3-25-19(24)31/h5-18,26-30H,1-4,20-23H2,(H3,24,25,31)/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H38N6O10
Molecular Weight 510.5392
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
5VZ5C5YHKK
Record Status Validated (UNII)
Record Version