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(2S)-3-(1H-indol-3-yl)-2-[[(2S)-1-oxo-2-(1-pyrenylsulfonylamino)propyl]amino]propanoic acid ethyl ester
SpectraBase Compound ID KTOJyVFgg0Q
InChI InChI=1S/C32H29N3O5S/c1-3-40-32(37)27(17-23-18-33-26-10-5-4-9-24(23)26)34-31(36)19(2)35-41(38,39)28-16-14-22-12-11-20-7-6-8-21-13-15-25(28)30(22)29(20)21/h4-16,18-19,27,33,35H,3,17H2,1-2H3,(H,34,36)/t19-,27-/m0/s1
InChIKey NQWVCDLKJAAUIG-PPHZAIPVSA-N
Mol Weight 567.7 g/mol
Molecular Formula C32H29N3O5S
Exact Mass 567.182792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOdt2eM5WIS
Name (2S)-3-(1H-indol-3-yl)-2-[[(2S)-1-oxo-2-(1-pyrenylsulfonylamino)propyl]amino]propanoic acid ethyl ester
Alternate Name(s) (2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-(pyren-1-ylsulfonylamino)propanoyl]amino]propionic acid ethyl ester Ethyl (2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-(pyren-1-ylsulfonylamino)propanoyl]amino]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H29N3O5S
InChI InChI=1S/C32H29N3O5S/c1-3-40-32(37)27(17-23-18-33-26-10-5-4-9-24(23)26)34-31(36)19(2)35-41(38,39)28-16-14-22-12-11-20-7-6-8-21-13-15-25(28)30(22)29(20)21/h4-16,18-19,27,33,35H,3,17H2,1-2H3,(H,34,36)/t19-,27-/m0/s1
InChIKey NQWVCDLKJAAUIG-PPHZAIPVSA-N
Molecular Weight 567.660 g/mol
SMILES N(S(c1c2c3c4c(cccc4cc2)ccc3cc1)(=O)=O)[C@](C(N[C@@](Cc1c[nH]c2c1cccc2)(C(=O)OCC)[H])=O)(C)[H]
SPLASH splash10-0uyi-0490000000-641cb5b2ead2b092839a
Source of Spectrum J-63-8944-0
Wiley ID 1407434