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CHEBI:45734 - (3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER

Default Structure
ChEBI IDCHEBI:45734
ChEBI Name(3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER
Stars
DownloadsMolfile
FormulaC19H21N3O6S
Net Charge0
Average Mass419.459
Monoisotopic Mass419.11511
SMILES[H]OS(=O)(=O)N([H])c1c([H])c([H])c2c(c1[H])C([H])([H])N(C(=O)OC([H])([H])c1c([H])c([H])c([H])c([H])c1[H])[C@]([H])(C(=O)N([H])C([H])([H])[H])C2([H])[H]
InChIInChI=1S/C19H21N3O6S/c1-20-18(23)17-10-14-7-8-16(21-29(25,26)27)9-15(14)11-22(17)19(24)28-12-13-5-3-2-4-6-13/h2-9,17,21H,10-12H2,1H3,(H,20,23)(H,25,26,27)/t17-/m0/s1
InChIKeyMFDBNNQUDZFSES-KRWDZBQOSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER (CHEBI:45734) is a unclassifieds (CHEBI:27189)
Synonym  Source
(3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTERPDBeChem
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