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Kyotorphin, 6TMS
SpectraBase Compound ID ESEZ8t54idH
InChI InChI=1S/C15H23N5O4/c16-11(8-9-3-5-10(21)6-4-9)13(22)20-12(14(23)24)2-1-7-19-15(17)18/h3-6,11-12,21H,1-2,7-8,16H2,(H,20,22)(H,23,24)(H4,17,18,19)/t11-,12-/m0/s1
InChIKey JXNRXNCCROJZFB-RYUDHWBXSA-N
Mol Weight 337.38 g/mol
Molecular Formula C15H23N5O4
Exact Mass 337.175004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1aeer4NRYoK
Name Kyotorphin, 6TMS
Comments Non-derivatized structure shown; Derivatization type: 6 TMS (mass: 769.412); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000707; Note: The molecular formula of the structure shown is C15H23N5O4 - which differs from the formula reported for the mass spectrum (C33H71N5O4Si6)
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Formula C33H71N5O4Si6
InChI InChI=1S/C15H23N5O4/c16-11(8-9-3-5-10(21)6-4-9)13(22)20-12(14(23)24)2-1-7-19-15(17)18/h3-6,11-12,21H,1-2,7-8,16H2,(H,20,22)(H,23,24)(H4,17,18,19)/t11-,12-/m0/s1
InChIKey JXNRXNCCROJZFB-RYUDHWBXSA-N
Molecular Weight 337.380 g/mol
SMILES OC([C@](CCCNC(=N)N)(NC([C@](Cc1ccc(cc1)O)(N)[H])=O)[H])=O
SPLASH splash10-0002-1962000000-2d43882c73cd497c6d68
Source of Spectrum FM-2019-707-0
Synonyms Kiotorphin, 6TMS Tyr-arg, 6TMS L-Tyrosyl-L-arginine, 6TMS Arginine, N2-tyrosyl-, 6TMS L-Araginine, L-tyrosyl-, 6TMS (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid, 6TMS L-tyrosyl-L-arginine
Wiley ID 1818385