Tri-(t-Buty) 10-[(Phenothiazin-1'-yl)propionyl]-1,4,7,10-tetraazacyclodecane-1,4,7-tricarboxylate

SpectraBase Compound ID	HHAf05XdNdF
InChI	InChI=1S/C38H57N5O6S/c1-36(2,3)47-33(44)40-23-21-39(19-14-20-43-29-15-10-12-17-31(29)50-32-18-13-11-16-30(32)43)22-24-41(34(45)48-37(4,5)6)26-28-42(27-25-40)35(46)49-38(7,8)9/h10-13,15-18H,14,19-28H2,1-9H3
InChIKey	UEVQIKLJGAZZNF-UHFFFAOYSA-N Google Search
Mol Weight	712.0 g/mol
Molecular Formula	C38H57N5O6S
Exact Mass	711.402956 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	58aNksQ3Zti
Name	Tri-(t-Buty) 10-[(Phenothiazin-1'-yl)propionyl]-1,4,7,10-tetraazacyclodecane-1,4,7-tricarboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C38H57N5O6S
InChI	InChI=1S/C38H57N5O6S/c1-36(2,3)47-33(44)40-23-21-39(19-14-20-43-29-15-10-12-17-31(29)50-32-18-13-11-16-30(32)43)22-24-41(34(45)48-37(4,5)6)26-28-42(27-25-40)35(46)49-38(7,8)9/h10-13,15-18H,14,19-28H2,1-9H3
InChIKey	UEVQIKLJGAZZNF-UHFFFAOYSA-N
Molecular Weight	711.963 g/mol
SMILES	c12N(c3c(Sc2cccc1)cccc3)CCCN1CCN(C(OC(C)(C)C)=O)CCN(C(OC(C)(C)C)=O)CCN(C(OC(C)(C)C)=O)CC1
SPLASH	splash10-03di-4000001900-7889596e09d17e37f7c5
Source of Spectrum	K1-2001-2301-4
Synonyms	10-[3-(10-phenothiazinyl)propyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tritert-butyl ester Tritert-butyl 10-(3-phenothiazin-10-ylpropyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
Wiley ID	846490