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N-[2-[[6-[2-(tert-butoxycarbonylamino)ethylamino]-5,10-diketo-benz[g]isoquinolin-9-yl]amino]ethyl]carbamic acid tert-butyl ester
SpectraBase Compound ID HzGALalXsE4
InChI InChI=1S/C27H35N5O6/c1-26(2,3)37-24(35)31-13-11-29-18-7-8-19(30-12-14-32-25(36)38-27(4,5)6)21-20(18)22(33)16-9-10-28-15-17(16)23(21)34/h7-10,15,29-30H,11-14H2,1-6H3,(H,31,35)(H,32,36)
InChIKey VRRQAZAFZRQUBU-UHFFFAOYSA-N
Mol Weight 525.6 g/mol
Molecular Formula C27H35N5O6
Exact Mass 525.258734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6K7mUhB8zAr
Name N-[2-[[6-[2-(tert-butoxycarbonylamino)ethylamino]-5,10-diketo-benz[g]isoquinolin-9-yl]amino]ethyl]carbamic acid tert-butyl ester
Alternate Name(s) N-[2-[[6-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylamino]-5,10-dioxo-9-benzo[g]isoquinolinyl]amino]ethyl]carbamic acid tert-butyl ester tert-Butyl N-[2-[[6-[2-(tert-butoxycarbonylamino)ethylamino]-5,10-dioxo-benzo[g]isoquinolin-9-yl]amino]ethyl]carbamate tert-Butyl N-[2-[[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-5,10-bis(oxidanylidene)benzo[g]isoquinolin-9-yl]amino]ethyl]carbamate tert-Butyl N-[2-[[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-5,10-dioxobenzo[g]isoquinolin-9-yl]amino]ethyl]carbamate
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Formula C27H35N5O6
InChI InChI=1S/C27H35N5O6/c1-26(2,3)37-24(35)31-13-11-29-18-7-8-19(30-12-14-32-25(36)38-27(4,5)6)21-20(18)22(33)16-9-10-28-15-17(16)23(21)34/h7-10,15,29-30H,11-14H2,1-6H3,(H,31,35)(H,32,36)
InChIKey VRRQAZAFZRQUBU-UHFFFAOYSA-N
Molecular Weight 525.606 g/mol
SMILES N(c1c2c(c(cc1)NCCNC(=O)OC(C)(C)C)C(c1cnccc1C2=O)=O)CCNC(=O)OC(C)(C)C
SPLASH splash10-0a4r-9005010000-c00065ca9bb3dfc6bf44
Source of Spectrum E1-37-833-3
Wiley ID 1574941