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5-[(2R,3R,4S)-3-bromo-4-[carbonazidoyl-(phenylmethyl)amino]-2-thiolanyl]pentanoic acid methyl ester
SpectraBase Compound ID K3MHQorL0vB
InChI InChI=1S/C18H23BrN4O3S/c1-26-16(24)10-6-5-9-15-17(19)14(12-27-15)23(18(25)21-22-20)11-13-7-3-2-4-8-13/h2-4,7-8,14-15,17H,5-6,9-12H2,1H3/t14-,15+,17+/m0/s1
InChIKey DBZJVCCYAWHVTD-ZMSDIMECSA-N
Mol Weight 455.37 g/mol
Molecular Formula C18H23BrN4O3S
Exact Mass 454.067425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZJjQNe7eda
Name 5-[(2R,3R,4S)-3-bromo-4-[carbonazidoyl-(phenylmethyl)amino]-2-thiolanyl]pentanoic acid methyl ester
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Formula C18H23BrN4O3S
InChI InChI=1S/C18H23BrN4O3S/c1-26-16(24)10-6-5-9-15-17(19)14(12-27-15)23(18(25)21-22-20)11-13-7-3-2-4-8-13/h2-4,7-8,14-15,17H,5-6,9-12H2,1H3/t14-,15+,17+/m0/s1
InChIKey DBZJVCCYAWHVTD-ZMSDIMECSA-N
Molecular Weight 455.371 g/mol
SMILES [C@]1(N(C(N=[N+]=[N-])=O)Cc2ccccc2)([C@]([C@](CCCCC(=O)OC)([H])SC1)(Br)[H])[H]
SPLASH splash10-0006-9000200000-9096805fd077067f30e2
Source of Spectrum J-60-329-29
Synonyms 5-[(2R,3R,4S)-4-[benzyl(carbonazidoyl)amino]-3-bromo-tetrahydrothiophen-2-yl]valeric acid methyl ester Methyl 5-[(2R,3R,4S)-3-bromanyl-4-[carbonazidoyl-(phenylmethyl)amino]thiolan-2-yl]pentanoate Methyl 5-[(2R,3R,4S)-4-[benzyl(carbonazidoyl)amino]-3-bromo-tetrahydrothiophen-2-yl]pentanoate Methyl 5-[(2R,3R,4S)-4-[benzyl(carbonazidoyl)amino]-3-bromothiolan-2-yl]pentanoate
Wiley ID 1388610