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(S)-N(.alpha.)-(Fluoren-9-ylmethoxycarbonyl)-.delta.-thioasparagine 4-methoxybenzyl ester
SpectraBase Compound ID 93DEBPjimL5
InChI InChI=1S/C27H26N2O5S/c1-32-18-12-10-17(11-13-18)15-33-26(30)24(14-25(28)35)29-27(31)34-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-24H,14-16H2,1H3,(H2,28,35)(H,29,31)/t24-/m0/s1
InChIKey XYAPBGOGIXTRMR-DEOSSOPVSA-N
Mol Weight 490.57 g/mol
Molecular Formula C27H26N2O5S
Exact Mass 490.156243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FawRfZnZ43A
Name (S)-N(.alpha.)-(Fluoren-9-ylmethoxycarbonyl)-.delta.-thioasparagine 4-methoxybenzyl ester
Alternate Name(s) 4-Methoxybenzyl (2S)-4-amino-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-thioxobutanoate (2S)-4-amino-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-sulfanylidenebutanoic acid (4-methoxyphenyl)methyl ester (4-methoxyphenyl)methyl (2S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-sulfanylidenebutanoate (4-methoxyphenyl)methyl (2S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-thioxo-butanoate (4-methoxyphenyl)methyl (2S)-4-azanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-sulfanylidene-butanoate
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Formula C27H26N2O5S
InChI InChI=1S/C27H26N2O5S/c1-32-18-12-10-17(11-13-18)15-33-26(30)24(14-25(28)35)29-27(31)34-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-24H,14-16H2,1H3,(H2,28,35)(H,29,31)/t24-/m0/s1
InChIKey XYAPBGOGIXTRMR-DEOSSOPVSA-N
Molecular Weight 490.574 g/mol
SMILES N([C@@](CC(=S)N)(C(OCc1ccc(cc1)OC)=O)[H])C(OCC1c2c(cccc2)-c2c1cccc2)=O
SPLASH splash10-004i-0900000000-bada7619d262ae78daa0
Source of Spectrum KC-0-3230-12
Wiley ID 831707