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Glycine, N-[N-[N-[N-(N-carboxy-L-threonyl)-L-alanyl]-L-leucyl]-L-leucyl]-, N-benzyl methyl ester

View entire compound with spectra: 1 MS (GC)

Glycine, N-[N-[N-[N-(N-carboxy-L-threonyl)-L-alanyl]-L-leucyl]-L-leucyl]-, N-benzyl methyl ester
SpectraBase Compound ID 8128uUpHjQF
InChI InChI=1S/C30H47N5O9/c1-17(2)13-22(27(39)31-15-24(37)43-7)34-28(40)23(14-18(3)4)33-26(38)19(5)32-29(41)25(20(6)36)35-30(42)44-16-21-11-9-8-10-12-21/h8-12,17-20,22-23,25,36H,13-16H2,1-7H3,(H,31,39)(H,32,41)(H,33,38)(H,34,40)(H,35,42)
InChIKey ZIXYWHMLYGJDKE-UHFFFAOYSA-N
Mol Weight 621.7 g/mol
Molecular Formula C30H47N5O9
Exact Mass 621.337378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gNmTq96rw
Name Glycine, N-[N-[N-[N-(N-carboxy-L-threonyl)-L-alanyl]-L-leucyl]-L-leucyl]-, N-benzyl methyl ester
CAS Registry Number 27545-13-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H47N5O9
InChI InChI=1S/C30H47N5O9/c1-17(2)13-22(27(39)31-15-24(37)43-7)34-28(40)23(14-18(3)4)33-26(38)19(5)32-29(41)25(20(6)36)35-30(42)44-16-21-11-9-8-10-12-21/h8-12,17-20,22-23,25,36H,13-16H2,1-7H3,(H,31,39)(H,32,41)(H,33,38)(H,34,40)(H,35,42)
InChIKey ZIXYWHMLYGJDKE-UHFFFAOYSA-N
Molecular Weight 621.732 g/mol
SMILES N(C(C(NCC(=O)OC)=O)CC(C)C)C(C(CC(C)C)NC(C(C)NC(C(C(C)O)NC(=O)OCc1ccccc1)=O)=O)=O
SPLASH splash10-0570-9200000000-fea22fd1236962b35af1
Source of Spectrum O-3-74-4
Synonyms Methyl 5-(1-hydroxyethyl)-11,14-diisobutyl-8-methyl-3,6,9,12,15-pentaoxo-1-phenyl-2-oxa-4,7,10,13,16-pentaazaoctadecan-18-oate 2-[[2-[[2-[2-[[2-(benzyloxycarbonylamino)-3-hydroxy-butanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetic acid methyl ester 2-[[2-[[2-[[2-[[3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]acetic acid methyl ester Methyl 2-[[2-[[2-[2-[[2-(benzyloxycarbonylamino)-3-hydroxy-butanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetate Methyl 2-[[2-[[2-[2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetate Methyl 2-[[4-methyl-2-[[4-methyl-2-[2-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]pentanoyl]amino]pentanoyl]amino]ethanoate
Wiley ID 65546