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CHEBI:39904 - N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-L-GLUTAMIC ACID

Default Structure
ChEBI IDCHEBI:39904
ChEBI NameN-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-L-GLUTAMIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC20H23N5O8S
Net Charge0
Average Mass493.498
Monoisotopic Mass493.12673
SMILES[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[C@@]([H])(O[H])c1c([H])c([H])c(N([H])[S@TB17](O[H])(O[H])c2c([H])c([H])c3nc(N([H])[H])nc(O[H])c3c2[H])c([H])c1[H]
InChIInChI=1S/C20H23N5O8S/c21-20-23-14-6-5-12(9-13(14)18(29)24-20)34(32,33)25-11-3-1-10(2-4-11)17(28)22-15(19(30)31)7-8-16(26)27/h1-6,9,15,17,22,25,28,32-33H,7-8H2,(H,26,27)(H,30,31)(H3,21,23,24,29)/t15-,17-/m0/s1
InChIKeyJWYUKMCUDBSRPA-RDJZCZTQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-L-GLUTAMIC ACID (CHEBI:39904) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-[(S)-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl)(hydroxy)methyl]-L-glutamic acidPDBeChem
N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-L-GLUTAMIC ACIDPDBeChem
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