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N-ethyl-5-methyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-phenylethenyl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxamide
SpectraBase Compound ID 5Ia12CAyovZ
InChI InChI=1S/C27H31N5O2S3/c1-6-28-21(33)20-17(2)34-22(29-20)25(3)14-36-24(31-25)27(5)16-37-23(32-27)26(4)15-35-19(30-26)13-12-18-10-8-7-9-11-18/h7-13H,6,14-16H2,1-5H3,(H,28,33)/b13-12+/t25-,26-,27-/m0/s1
InChIKey KVYAGFLQRJDJNP-PBUZKHPPSA-N
Mol Weight 553.76 g/mol
Molecular Formula C27H31N5O2S3
Exact Mass 553.163989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21AB82CYGO
Name N-ethyl-5-methyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-phenylethenyl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31N5O2S3
InChI InChI=1S/C27H31N5O2S3/c1-6-28-21(33)20-17(2)34-22(29-20)25(3)14-36-24(31-25)27(5)16-37-23(32-27)26(4)15-35-19(30-26)13-12-18-10-8-7-9-11-18/h7-13H,6,14-16H2,1-5H3,(H,28,33)/b13-12+/t25-,26-,27-/m0/s1
InChIKey KVYAGFLQRJDJNP-PBUZKHPPSA-N
Molecular Weight 553.758 g/mol
SMILES N(C(c1nc([C@]2(N=C([C@]3(N=C([C@]4(N=C(\C=C\c5ccccc5)SC4)C)SC3)C)SC2)C)oc1C)=O)CC
SPLASH splash10-0udi-1295040000-bf2af5a6dd68c8af722e
Source of Spectrum U1-1999-3387-9
Synonyms N-ethyl-5-methyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-phenylethenyl]-5H-thiazol-4-yl]-5H-thiazol-4-yl]-5H-thiazol-4-yl]-4-oxazolecarboxamide N-ethyl-5-methyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-styryl]-2-thiazolin-4-yl]-2-thiazolin-4-yl]-2-thiazolin-4-yl]oxazole-4-carboxamide N-ethyl-5-methyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-styryl]-5H-thiazol-4-yl]-5H-thiazol-4-yl]-5H-thiazol-4-yl]oxazole-4-carboxamide
Wiley ID 753475