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L-Proline, 1-[O-(1-oxohexyl)-N-[N-[N6-(1-oxohexyl)-N2-[N-(1-oxohexyl)-L-valyl]-L-lysyl]-L-valyl]-L-tyrosyl]-, methyl ester

View entire compound with spectra: 1 MS (GC)

L-Proline, 1-[O-(1-oxohexyl)-N-[N-[N6-(1-oxohexyl)-N2-[N-(1-oxohexyl)-L-valyl]-L-lysyl]-L-valyl]-L-tyrosyl]-, methyl ester
SpectraBase Compound ID BKmQS76JSG5
InChI InChI=1S/C49H80N6O10/c1-9-12-15-23-40(56)50-30-19-18-21-37(51-46(60)43(33(4)5)53-41(57)24-16-13-10-2)45(59)54-44(34(6)7)47(61)52-38(48(62)55-31-20-22-39(55)49(63)64-8)32-35-26-28-36(29-27-35)65-42(58)25-17-14-11-3/h26-29,33-34,37-39,43-44H,9-25,30-32H2,1-8H3,(H,50,56)(H,51,60)(H,52,61)(H,53,57)(H,54,59)
InChIKey RXHSAOZAINZDDQ-UHFFFAOYSA-N
Mol Weight 913.2 g/mol
Molecular Formula C49H80N6O10
Exact Mass 912.593593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qinmYdqZ6s
Name L-Proline, 1-[O-(1-oxohexyl)-N-[N-[N6-(1-oxohexyl)-N2-[N-(1-oxohexyl)-L-valyl]-L-lysyl]-L-valyl]-L-tyrosyl]-, methyl ester
CAS Registry Number 56272-43-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C49H80N6O10
InChI InChI=1S/C49H80N6O10/c1-9-12-15-23-40(56)50-30-19-18-21-37(51-46(60)43(33(4)5)53-41(57)24-16-13-10-2)45(59)54-44(34(6)7)47(61)52-38(48(62)55-31-20-22-39(55)49(63)64-8)32-35-26-28-36(29-27-35)65-42(58)25-17-14-11-3/h26-29,33-34,37-39,43-44H,9-25,30-32H2,1-8H3,(H,50,56)(H,51,60)(H,52,61)(H,53,57)(H,54,59)
InChIKey RXHSAOZAINZDDQ-UHFFFAOYSA-N
Molecular Weight 913.211 g/mol
SMILES N(CCCCC(C(NC(C(NC(Cc1ccc(cc1)OC(CCCCC)=O)C(N1CCCC1C(=O)OC)=O)=O)C(C)C)=O)NC(C(C(C)C)NC(CCCCC)=O)=O)C(CCCCC)=O
SPLASH splash10-0fk9-0966531000-b3b98f53ab7236905ec6
Source of Spectrum T-67-5296-0
Synonyms Methyl 1-(8-[4-(hexanoylamino)butyl]-2-[4-(hexanoyloxy)benzyl]-5,11-diisopropyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazaoctadec-1-anoyl)-2-pyrrolidinecarboxylate 1-[2-[[2-[[6-(caproylamino)-2-[[2-(caproylamino)-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-caproyloxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid methyl ester 1-[2-[[3-methyl-2-[[2-[[3-methyl-1-oxo-2-(1-oxohexylamino)butyl]amino]-1-oxo-6-(1-oxohexylamino)hexyl]amino]-1-oxobutyl]amino]-1-oxo-3-[4-(1-oxohexoxy)phenyl]propyl]-2-pyrrolidinecarboxylic acid methyl ester Methyl 1-[2-[[2-[[6-(hexanoylamino)-2-[[2-(hexanoylamino)-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hexanoyloxyphenyl)propanoyl]pyrrolidine-2-carboxylate
Wiley ID 1418088