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CHEBI:39651 - 3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER

Default Structure
ChEBI IDCHEBI:39651
ChEBI Name3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC16H23N3O6S
Net Charge0
Average Mass385.442
Monoisotopic Mass385.13076
SMILES[H]OS(=O)(=O)N([H])c1c([H])c([H])c2c(c1[H])C([H])([H])N(C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C(=O)N([H])C([H])([H])[H])C2([H])[H]
InChIInChI=1S/C16H23N3O6S/c1-16(2,3)25-15(21)19-9-11-7-12(18-26(22,23)24)6-5-10(11)8-13(19)14(20)17-4/h5-7,13,18H,8-9H2,1-4H3,(H,17,20)(H,22,23,24)/t13-/m0/s1
InChIKeyPPSSYXOFPICMQD-ZDUSSCGKSA-N
ChEBI Ontology
Outgoing Relation(s)
3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER (CHEBI:39651) is a unclassifieds (CHEBI:27189)
Synonym  Source
3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTERPDBeChem
Manual XrefsDatabases
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