BST

6-(4-AMINO-4-HYDROXY-2-OXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-3-[3-AMINO-5-(N-METHYL-GUANIDINO)-PENT ANOYLAMINO]-3,6-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID


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Chemical Component Summary

Name6-(4-AMINO-4-HYDROXY-2-OXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-3-[3-AMINO-5-(N-METHYL-GUANIDINO)-PENT ANOYLAMINO]-3,6-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
SynonymsTETRAHEDRAL INTERMEDIATE OF BLASTICIDIN S
Identifiers(2S,3S,6R)-3-[[(3S)-3-amino-5-(carbamimidoyl-methyl-amino)pentanoyl]amino]-6-[(4S)-4-amino-4-hydroxy-2-oxo-3H-pyrimidin-1-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid
FormulaC17 H28 N8 O6
Molecular Weight440.454
TypeNON-POLYMER
Isomeric SMILESCN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=C[C@@](NC2=O)(N)O)N)C(=N)N
InChIInChI=1S/C17H28N8O6/c1-24(15(19)20)6-4-9(18)8-11(26)22-10-2-3-12(31-13(10)14(27)28)25-7-5-17(21,30)23-16(25)29/h2-3,5,7,9-10,12-13,30H,4,6,8,18,21H2,1H3,(H3,19,20)(H,22,26)(H,23,29)(H,27,28)/t9-,10-,12+,13-,17-/m0/s1
InChIKeyMVFPGTZTOAHVBP-HXYLPHSESA-N

Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count5
Bond Count60
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB04649 
NameTETRAHEDRAL INTERMEDIATE OF BLASTICIDIN S
Groups experimental
SynonymsTETRAHEDRAL INTERMEDIATE OF BLASTICIDIN S

Drug Targets

NameTarget SequencePharmacological ActionActions
Blasticidin-S deaminaseMPLSQEESTLIERATATINSIPISEDYSVASAALSSDGRIFTGVNVYHFT...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 5287847