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(phenylmethyl) 2-[[(Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methyl-pentanoate
SpectraBase Compound ID KZTiwPIr9xW
InChI InChI=1S/C29H29FN2O4/c1-20(2)17-26(29(35)36-19-22-9-5-3-6-10-22)32-28(34)25(18-21-13-15-24(30)16-14-21)31-27(33)23-11-7-4-8-12-23/h3-16,18,20,26H,17,19H2,1-2H3,(H,31,33)(H,32,34)/b25-18-
InChIKey AMRKYVJBVZIEEU-BWAHOGKJSA-N
Mol Weight 488.56 g/mol
Molecular Formula C29H29FN2O4
Exact Mass 488.211136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60STyCPWtpT
Name (phenylmethyl) 2-[[(Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methyl-pentanoate
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Formula C29H29FN2O4
InChI InChI=1S/C29H29FN2O4/c1-20(2)17-26(29(35)36-19-22-9-5-3-6-10-22)32-28(34)25(18-21-13-15-24(30)16-14-21)31-27(33)23-11-7-4-8-12-23/h3-16,18,20,26H,17,19H2,1-2H3,(H,31,33)(H,32,34)/b25-18-
InChIKey AMRKYVJBVZIEEU-BWAHOGKJSA-N
Molecular Weight 488.559 g/mol
SMILES N(C(c1ccccc1)=O)\C(C(NC(C(OCc1ccccc1)=O)CC(C)C)=O)=C/c1ccc(cc1)F
SPLASH splash10-0a4l-9510000000-9e0718a29a4ed146edb9
Synonyms 2-[[(Z)-2-benzamido-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-methylpentanoic acid (phenylmethyl) ester 2-[[(Z)-2-benzamido-3-(4-fluorophenyl)acryloyl]amino]-4-methyl-valeric acid benzyl ester benzyl 2-[[(Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methyl-pentanoate
Wiley ID 1446294