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(2S,4S)-1-[(2S)-1-[(2S)-1-[(2S)-2-chloropropanoyl]prolyl]prolyl]-4-hydroxy-pyrrolidine-2-carboxylic acid methyl ester
SpectraBase Compound ID A7MqYeRQVyO
InChI InChI=1S/C19H28ClN3O6/c1-11(20)16(25)21-7-3-5-13(21)17(26)22-8-4-6-14(22)18(27)23-10-12(24)9-15(23)19(28)29-2/h11-15,24H,3-10H2,1-2H3/t11-,12-,13-,14-,15-/m0/s1
InChIKey BCJPTJMDYKKPFY-YTFOTSKYSA-N
Mol Weight 429.9 g/mol
Molecular Formula C19H28ClN3O6
Exact Mass 429.166663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INoDNuEf0mT
Name (2S,4S)-1-[(2S)-1-[(2S)-1-[(2S)-2-chloropropanoyl]prolyl]prolyl]-4-hydroxy-pyrrolidine-2-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28ClN3O6
InChI InChI=1S/C19H28ClN3O6/c1-11(20)16(25)21-7-3-5-13(21)17(26)22-8-4-6-14(22)18(27)23-10-12(24)9-15(23)19(28)29-2/h11-15,24H,3-10H2,1-2H3/t11-,12-,13-,14-,15-/m0/s1
InChIKey BCJPTJMDYKKPFY-YTFOTSKYSA-N
Molecular Weight 429.901 g/mol
SMILES O[C@@]1(CN(C([C@]2(N(C([C@]3(N(C(=O)[C@@](Cl)(C)[H])CCC3)[H])=O)CCC2)[H])=O)[C@](C(=O)OC)(C1)[H])[H]
SPLASH splash10-01wr-6910000000-d804bb5b80471a776c71
Source of Spectrum KC-0-3775-12
Synonyms (2S,4S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-chloro-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid methyl ester Methyl (2S,4S)-1-[(2S)-1-[(2S)-1-[(2S)-2-chloranylpropanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate Methyl (2S,4S)-1-[(2S)-1-[(2S)-1-[(2S)-2-chloropropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-4-hydroxy-pyrrolidine-2-carboxylate
Wiley ID 826932