(Q105159983)

English

[(2R,3S,4R,5S)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2S)-2-aminopropanoyl]sulfamate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-(2-aminopropanoyl)sulfamate

1 reference

based on heuristic

inferred from SMILES

1 reference

based on heuristic

inferred from SMILES

451.067694596 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₃H₁₈ClN₇O₇S

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canonical SMILES

CC(N)C(=O)NS(=O)(=O)OCC1OC(n2cnc3c(N)nc(Cl)nc32)C(O)C1O

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isomeric SMILES

C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O

0 references

2 references

Ascamycin and dealanylascamycin, nucleoside antibiotics from Streptomyces sp.

Ascamycin and dealanylascamycin, nucleoside antibiotics from Streptomyces sp.

Identifiers

InChI=1S/C13H18ClN7O7S/c1-4(15)11(24)20-29(25,26)27-2-5-7(22)8(23)12(28-5)21-3-17-6-9(16)18-13(14)19-10(6)21/h3-5,7-8,12,22-23H,2,15H2,1H3,(H,20,24)(H2,16,18,19)/t4-,5+,7+,8+,12-/m0/s1

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LZMCAAGVMFMSKC-UJYPAJPOSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

LZMCAAGVMFMSKC-UJYPAJPOSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C13H18ClN7O7S/c1-4(15)11(24)20-29(25,26)27-2-5-7(22)8(23)12(28-5)21-3-17-6-9(16)18-13(14)19-10(6)21/h3-5,7-8,12,22-23H,2,15H2,1H3,(H,20,24)(H2,16,18,19)/t4-,5+,7+,8+,12-/m0/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

LZMCAAGVMFMSKC-UJYPAJPOSA-N

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