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CHEBI:43878 - 2-({[(3E)-5-{4-[(DIMETHYLAMINO)(DIHYDROXY)-LAMBDA~4~-SULFANYL]PHENYL}-8-METHYL-2-OXO-6,7,8,9-TETRAHYDRO-1H-PYRROLO[3,2-H]ISOQUINOLIN-3(2H)-YLIDENE]AMINO}OXY)-4-HYDROXYBUTANOIC ACID

Default Structure
ChEBI IDCHEBI:43878
ChEBI Name2-({[(3E)-5-{4-[(DIMETHYLAMINO)(DIHYDROXY)-LAMBDA~4~-SULFANYL]PHENYL}-8-METHYL-2-OXO-6,7,8,9-TETRAHYDRO-1H-PYRROLO[3,2-H]ISOQUINOLIN-3(2H)-YLIDENE]AMINO}OXY)-4-HYDROXYBUTANOIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC24H30N4O7S
Net Charge0
Average Mass518.592
Monoisotopic Mass518.18352
SMILES[H]OC(=O)[C@@]([H])(O/N=C1\C(=O)N([H])c2c1c([H])c(-c1c([H])c([H])c([S@TB6](O[H])(O[H])N(C([H])([H])[H])C([H])([H])[H])c([H])c1[H])c1c2C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])O[H]
InChIInChI=1S/C24H30N4O7S/c1-27(2)36(33,34)15-6-4-14(5-7-15)17-12-18-21(19-13-28(3)10-8-16(17)19)25-23(30)22(18)26-35-20(9-11-29)24(31)32/h4-7,12,20,29,33-34H,8-11,13H2,1-3H3,(H,31,32)(H,25,26,30)/t20-/m0/s1
InChIKeyPHWIDOUZQOKACD-FQEVSTJZSA-N
ChEBI Ontology
Outgoing Relation(s)
2-({[(3E)-5-{4-[(DIMETHYLAMINO)(DIHYDROXY)-LAMBDA~4~-SULFANYL]PHENYL}-8-METHYL-2-OXO-6,7,8,9-TETRAHYDRO-1H-PYRROLO[3,2-H]ISOQUINOLIN-3(2H)-YLIDENE]AMINO}OXY)-4-HYDROXYBUTANOIC ACID (CHEBI:43878) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-({[(3E)-5-{4-[(DIMETHYLAMINO)(DIHYDROXY)-LAMBDA~4~-SULFANYL]PHENYL}-8-METHYL-2-OXO-6,7,8,9-TETRAHYDRO-1H-PYRROLO[3,2-H]ISOQUINOLIN-3(2H)-YLIDENE]AMINO}OXY)-4-HYDROXYBUTANOIC ACIDPDBeChem
(2S)-2-({[(3E)-5-{4-[(dimethylamino)(dihydroxy)-lambda~4~-sulfanyl]phenyl}-8-methyl-2-oxo-1,2,6,7,8,9-hexahydro-3H-pyrrolo[3,2-h]isoquinolin-3-ylidene]amino}oxy)-4-hydroxybutanoic acidPDBeChem
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