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.beta.-Alanine, N-[N-[N-[N-[1-(D-2-hydroxyvaleryl)-L-prolyl]-L-isoleucyl]-N-methyl-L-valyl]-N-methyl-L-alanyl]-, methyl ester, acetate (ester)

View entire compound with spectra: 1 MS (GC)

.beta.-Alanine, N-[N-[N-[N-[1-(D-2-hydroxyvaleryl)-L-prolyl]-L-isoleucyl]-N-methyl-L-valyl]-N-methyl-L-alanyl]-, methyl ester, acetate (ester)
SpectraBase Compound ID GmMitdZNtq4
InChI InChI=1S/C32H55N5O9/c1-11-14-24(46-22(7)38)30(42)37-18-13-15-23(37)29(41)34-26(20(5)12-2)31(43)36(9)27(19(3)4)32(44)35(8)21(6)28(40)33-17-16-25(39)45-10/h19-21,23-24,26-27H,11-18H2,1-10H3,(H,33,40)(H,34,41)
InChIKey FKAJBPDRWFWAPB-UHFFFAOYSA-N
Mol Weight 653.8 g/mol
Molecular Formula C32H55N5O9
Exact Mass 653.399978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IfQeXitrF2N
Name .beta.-Alanine, N-[N-[N-[N-[1-(D-2-hydroxyvaleryl)-L-prolyl]-L-isoleucyl]-N-methyl-L-valyl]-N-methyl-L-alanyl]-, methyl ester, acetate (ester)
CAS Registry Number 6686-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H55N5O9
InChI InChI=1S/C32H55N5O9/c1-11-14-24(46-22(7)38)30(42)37-18-13-15-23(37)29(41)34-26(20(5)12-2)31(43)36(9)27(19(3)4)32(44)35(8)21(6)28(40)33-17-16-25(39)45-10/h19-21,23-24,26-27H,11-18H2,1-10H3,(H,33,40)(H,34,41)
InChIKey FKAJBPDRWFWAPB-UHFFFAOYSA-N
Molecular Weight 653.818 g/mol
SMILES N(C(=O)C1N(C(C(OC(C)=O)CCC)=O)CCC1)C(C(N(C(C(N(C(C(NCCC(OC)=O)=O)C)C)=O)C(C)C)C)=O)C(CC)C
SPLASH splash10-0uxu-0494400000-b34748b6d05ad0efb8c3
Source of Spectrum O-4-179-8
Synonyms Methyl 1-(1-[2-(acetyloxy)pentanoyl]-2-pyrrolidinyl)-3-sec-butyl-6-isopropyl-5,8,9-trimethyl-1,4,7,10-tetraoxo-2,5,8,11-tetraazatetradecan-14-oate 3-[2-[[2-[[2-[[1-(2-acetoxypentanoyl)prolyl]amino]-3-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]propanoylamino]propionic acid methyl ester 3-[[2-[[2-[[2-[[[1-(2-acetyloxy-1-oxopentyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]-methylamino]-3-methyl-1-oxobutyl]-methylamino]-1-oxopropyl]amino]propanoic acid methyl ester Methyl 3-[2-[[2-[[2-[[1-(2-acetoxypentanoyl)pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]propanoylamino]propanoate Methyl 3-[2-[[2-[[2-[[1-(2-acetyloxypentanoyl)pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]propanoylamino]propanoate Methyl 3-[2-[[2-[[2-[[1-(2-acetyloxypentanoyl)pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]propanoylamino]propanoate
Wiley ID 1413260