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CHEBI:94990 - N-[(2R)-1-[[[[2-(2-ethylanilino)-2-oxoethyl]thio]-oxomethyl]hydrazo]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester

ChEBI IDCHEBI:94990
ChEBI NameN-[(2R)-1-[[[[2-(2-ethylanilino)-2-oxoethyl]thio]-oxomethyl]hydrazo]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester
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DownloadsMolfile
FormulaC27H33N5O5S
Net Charge0
Average Mass539.658
Monoisotopic Mass539.22024
SMILESCCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@@H](Cc1cnc2ccccc12)NC(=O)OC(C)(C)C
InChIInChI=1S/C27H33N5O5S/c1-5-17-10-6-8-12-20(17)29-23(33)16-38-26(36)32-31-24(34)22(30-25(35)37-27(2,3)4)14-18-15-28-21-13-9-7-11-19(18)21/h6-13,15,22,28H,5,14,16H2,1-4H3,(H,29,33)(H,30,35)(H,31,34)(H,32,36)/t22-/m1/s1
InChIKeyOTIWAYTTYNFEKL-JOCHJYFZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R)-1-[[[[2-(2-ethylanilino)-2-oxoethyl]thio]-oxomethyl]hydrazo]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester (CHEBI:94990) is a tryptamines (CHEBI:27162)
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