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(1R,4R,2'S,2''S)-(-)-N-{1-Butyl-4-[(2-methoxymethylpyrrolidine-1-yl)propionylamino]octyl}-N-(2-methoxymethylpyrrolidin-1-yl)propionylamide
SpectraBase Compound ID 87bRzGyyB9Z
InChI InChI=1S/C30H58N4O4/c1-7-11-15-25(33(29(35)9-3)31-21-13-17-27(31)23-37-5)19-20-26(16-12-8-2)34(30(36)10-4)32-22-14-18-28(32)24-38-6/h25-28H,7-24H2,1-6H3/t25-,26-,27+,28+/m1/s1
InChIKey LLDCSGVMVMTTGA-VIJSPRBVSA-N
Mol Weight 538.8 g/mol
Molecular Formula C30H58N4O4
Exact Mass 538.445806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkcYgme8E7K
Name (1R,4R,2'S,2''S)-(-)-N-{1-Butyl-4-[(2-methoxymethylpyrrolidine-1-yl)propionylamino]octyl}-N-(2-methoxymethylpyrrolidin-1-yl)propionylamide
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Formula C30H58N4O4
InChI InChI=1S/C30H58N4O4/c1-7-11-15-25(33(29(35)9-3)31-21-13-17-27(31)23-37-5)19-20-26(16-12-8-2)34(30(36)10-4)32-22-14-18-28(32)24-38-6/h25-28H,7-24H2,1-6H3/t25-,26-,27+,28+/m1/s1
InChIKey LLDCSGVMVMTTGA-VIJSPRBVSA-N
Molecular Weight 538.818 g/mol
SMILES C(N(N1[C@](COC)(CCC1)[H])[C@@](CC[C@](N(N1[C@](COC)(CCC1)[H])C(=O)CC)(CCCC)[H])(CCCC)[H])(=O)CC
SPLASH splash10-06rl-7902700000-67dc1df108aec0be654b
Source of Spectrum CV-2002-2552-3
Synonyms (1R,4R,2'S,2''S)-(-)-N-{1-Butyl-4-[(2-methoxymethylpyrrolidine-1-yl)propionylamino]octyl}-N-(2-methoxymethylpyrrolidin-1-yl)propionamide (1R,4R,2'S,2''S)-(-)-N-{1-Butyl-4-[(2-methoxymethylpyrrolidine-1-yl)propionylamino]octyl}-N-(2-methoxymethylpyrrolidin-1-yl)propionamide N-{(1R,4R)-1-butyl-4-[[(2S)-2-(methoxymethyl)pyrrolidinyl](propionyl)amino]octyl}-N-[(2S)-2-(methoxymethyl)pyrrolidinyl]propanamide
Wiley ID 1610538