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Ethyl (2S,3'S)-cis-1-(tert-Butoxycarbonyl)-5-[(3'-amino-(N-benzyloxycarbonyl)-3'-(methoxycarbonyl)propyl]prolinate
SpectraBase Compound ID 74khDfu9E0A
InChI InChI=1S/C25H36N2O8/c1-6-33-22(29)20-15-13-18(27(20)24(31)35-25(2,3)4)12-14-19(21(28)32-5)26-23(30)34-16-17-10-8-7-9-11-17/h7-11,18-20H,6,12-16H2,1-5H3,(H,26,30)/t18-,19?,20-/m0/s1
InChIKey HHURAZVPLHARBB-WMEOFMBSSA-N
Mol Weight 492.6 g/mol
Molecular Formula C25H36N2O8
Exact Mass 492.247166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BDA3jVJr4
Name Ethyl (2S,3'S)-cis-1-(tert-Butoxycarbonyl)-5-[(3'-amino-(N-benzyloxycarbonyl)-3'-(methoxycarbonyl)propyl]prolinate
Alternate Name(s) Ethyl (2S,3'R)-cis-1-(tert-Butoxycarbonyl)-5-[(3'-amino-(N-benzyloxycarbonyl)-3'-(methoxycarbonyl)propyl]prolinate (2S,5S)-5-(3-Benzyloxycarbonylamino-3-methoxycarbonyl-propyl)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester
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Formula C25H36N2O8
InChI InChI=1S/C25H36N2O8/c1-6-33-22(29)20-15-13-18(27(20)24(31)35-25(2,3)4)12-14-19(21(28)32-5)26-23(30)34-16-17-10-8-7-9-11-17/h7-11,18-20H,6,12-16H2,1-5H3,(H,26,30)/t18-,19?,20-/m0/s1
InChIKey HHURAZVPLHARBB-WMEOFMBSSA-N
Molecular Weight 492.569 g/mol
SMILES N(C(=O)OCc1ccccc1)C(C(=O)OC)CC[C@@]1(N(C(OC(C)(C)C)=O)[C@](C(=O)OCC)(CC1)[H])[H]
SPLASH splash10-0006-9408000000-f0e76eb6013bca78c781
Source of Spectrum F-56-4296-21
Wiley ID 857523