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CHEBI:49838 - 1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-7-YL}SULFONYL)-D-PROLINE

Default Structure
ChEBI IDCHEBI:49838
ChEBI Name1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-7-YL}SULFONYL)-D-PROLINE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC15H16ClN5O4S
Net Charge0
Average Mass397.844
Monoisotopic Mass397.06115
SMILES[H]OC(=O)[C@]1([H])N(S(=O)(=O)c2c([H])c([H])c3c(Cl)c([H])nc(N=C(N([H])[H])N([H])[H])c3c2[H])C([H])([H])C([H])([H])C1([H])[H]
InChIInChI=1S/C15H16ClN5O4S/c16-11-7-19-13(20-15(17)18)10-6-8(3-4-9(10)11)26(24,25)21-5-1-2-12(21)14(22)23/h3-4,6-7,12H,1-2,5H2,(H,22,23)(H4,17,18,19,20)/t12-/m1/s1
InChIKeyMWEYSFQTTAFUFL-GFCCVEGCSA-N
ChEBI Ontology
Outgoing Relation(s)
1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-7-YL}SULFONYL)-D-PROLINE (CHEBI:49838) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-({4-chloro-1-[(diaminomethylidene)amino]isoquinolin-7-yl}sulfonyl)-D-prolinePDBeChem
1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-7-YL}SULFONYL)-D-PROLINEPDBeChem
Manual XrefsDatabases
QGGPDBeChem