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3-(3-nitrophenyl)-3-[[1-oxo-4-[1-(phenylmethyl)-3-indolyl]butyl]amino]propanoic acid ethyl ester
SpectraBase Compound ID 5EK6Q0KbZ3U
InChI InChI=1S/C30H31N3O5/c1-2-38-30(35)19-27(23-12-8-14-25(18-23)33(36)37)31-29(34)17-9-13-24-21-32(20-22-10-4-3-5-11-22)28-16-7-6-15-26(24)28/h3-8,10-12,14-16,18,21,27H,2,9,13,17,19-20H2,1H3,(H,31,34)
InChIKey GBWCEQSXJCVABS-UHFFFAOYSA-N
Mol Weight 513.59 g/mol
Molecular Formula C30H31N3O5
Exact Mass 513.226371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 184gYGbxWSG
Name 3-(3-nitrophenyl)-3-[[1-oxo-4-[1-(phenylmethyl)-3-indolyl]butyl]amino]propanoic acid ethyl ester
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Formula C30H31N3O5
InChI InChI=1S/C30H31N3O5/c1-2-38-30(35)19-27(23-12-8-14-25(18-23)33(36)37)31-29(34)17-9-13-24-21-32(20-22-10-4-3-5-11-22)28-16-7-6-15-26(24)28/h3-8,10-12,14-16,18,21,27H,2,9,13,17,19-20H2,1H3,(H,31,34)
InChIKey GBWCEQSXJCVABS-UHFFFAOYSA-N
Molecular Weight 513.594 g/mol
SMILES N(C(CC(=O)OCC)c1cc(N(=O)=O)ccc1)C(CCCc1c[n](c2c1cccc2)Cc1ccccc1)=O
SPLASH splash10-0006-9360000000-c212fa1155db43b2f938
Synonyms 3-[4-(1-benzylindol-3-yl)butanoylamino]-3-(3-nitrophenyl)propionic acid ethyl ester Ethyl 3-(3-nitrophenyl)-3-[4-[1-(phenylmethyl)indol-3-yl]butanoylamino]propanoate Ethyl 3-[4-(1-benzylindol-3-yl)butanoylamino]-3-(3-nitrophenyl)propanoate Ethyl 3-{[4-(1-benzyl-1H-indol-3-yl)butanoyl]amino}-3-(3-nitrophenyl)propanoate
Wiley ID 1443634