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1H-Pyrrole-2-carboxylic acid, 5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-[(1-phenylethyl)amino]propyl]-, 1,1-dimethylethyl ester, [R-(Z)]-
SpectraBase Compound ID AHZ4fUt4a7p
InChI InChI=1S/C29H37N3O4/c1-8-21-18(3)27(34)32-24(21)16-23-17(2)22(26(31-23)28(35)36-29(5,6)7)14-15-25(33)30-19(4)20-12-10-9-11-13-20/h9-13,16,19,31H,8,14-15H2,1-7H3,(H,30,33)(H,32,34)/b24-16-/t19-/m1/s1
InChIKey BXLKTFSSNPAYHC-VKINRBECSA-N
Mol Weight 491.6 g/mol
Molecular Formula C29H37N3O4
Exact Mass 491.278407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fth0NLyIOjz
Name 1H-Pyrrole-2-carboxylic acid, 5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-[(1-phenylethyl)amino]propyl]-, 1,1-dimethylethyl ester, [R-(Z)]-
CAS Registry Number 100923-19-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H37N3O4
InChI InChI=1S/C29H37N3O4/c1-8-21-18(3)27(34)32-24(21)16-23-17(2)22(26(31-23)28(35)36-29(5,6)7)14-15-25(33)30-19(4)20-12-10-9-11-13-20/h9-13,16,19,31H,8,14-15H2,1-7H3,(H,30,33)(H,32,34)/b24-16-/t19-/m1/s1
InChIKey BXLKTFSSNPAYHC-VKINRBECSA-N
Molecular Weight 491.632 g/mol
SMILES [nH]1c(c(CCC(N[C@@](c2ccccc2)(C)[H])=O)c(C)c1\C=C/1NC(C(=C1CC)C)=O)C(OC(C)(C)C)=O
SPLASH splash10-052f-7924500000-58b019593d5feadaecf8
Source of Spectrum AH-116-1080-24
Synonyms (Z)-3-Ethyl-3',4-dimethyl-5'-t-butoxycarbonyl-4'-[N-(R)-1-amino-1-phenylethyl-aminocarbonyl-2-ethyl]-5-(1H)-2,2'-pyrromethenone tert-Butyl 5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-3-(3-oxo-3-{[(1R)-1-phenylethyl]amino}propyl)-1H-pyrrole-2-carboxylate
Wiley ID 1397420