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Benzyl 5-[(benzyloxy)carbonyl]-11-[(benzylsulfanyl)methyl]-14-isopropyl-3,9,12-trioxo-1-phenyl-2-oxa-4,10,13-triazapentadecan-15-oate

View entire compound with spectra: 2 MS (GC)

Benzyl 5-[(benzyloxy)carbonyl]-11-[(benzylsulfanyl)methyl]-14-isopropyl-3,9,12-trioxo-1-phenyl-2-oxa-4,10,13-triazapentadecan-15-oate
SpectraBase Compound ID BXr2YsFuakE
InChI InChI=1S/C43H49N3O8S/c1-31(2)39(42(50)53-27-33-18-9-4-10-19-33)46-40(48)37(30-55-29-35-22-13-6-14-23-35)44-38(47)25-15-24-36(41(49)52-26-32-16-7-3-8-17-32)45-43(51)54-28-34-20-11-5-12-21-34/h3-14,16-23,31,36-37,39H,15,24-30H2,1-2H3,(H,44,47)(H,45,51)(H,46,48)
InChIKey NAJVCNDJBUPIAI-UHFFFAOYSA-N
Mol Weight 767.9 g/mol
Molecular Formula C43H49N3O8S
Exact Mass 767.324037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZGzpcvrYs4
Name Benzyl 5-[(benzyloxy)carbonyl]-11-[(benzylsulfanyl)methyl]-14-isopropyl-3,9,12-trioxo-1-phenyl-2-oxa-4,10,13-triazapentadecan-15-oate
CAS Registry Number 79761-05-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H49N3O8S
InChI InChI=1S/C43H49N3O8S/c1-31(2)39(42(50)53-27-33-18-9-4-10-19-33)46-40(48)37(30-55-29-35-22-13-6-14-23-35)44-38(47)25-15-24-36(41(49)52-26-32-16-7-3-8-17-32)45-43(51)54-28-34-20-11-5-12-21-34/h3-14,16-23,31,36-37,39H,15,24-30H2,1-2H3,(H,44,47)(H,45,51)(H,46,48)
InChIKey NAJVCNDJBUPIAI-UHFFFAOYSA-N
Molecular Weight 767.938 g/mol
SMILES N(C(C(NC(CCCC(C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)=O)CSCc1ccccc1)=O)C(C(C)C)C(=O)OCc1ccccc1
SPLASH splash10-0adl-9410000000-d5573f7cf639a1b7b6a9
Synonyms (phenylmethyl) 6-[[1-[(3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]-6-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoate 2-(benzyloxycarbonylamino)-6-[[1-[(benzylthio)methyl]-2-[(1-carbobenzoxy-2-methyl-propyl)amino]-2-keto-ethyl]amino]-6-keto-hexanoic acid benzyl ester 6-[[1-[(3-methyl-1-oxo-1-phenylmethoxybutan-2-yl)amino]-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]-6-oxo-2-(phenylmethoxycarbonylamino)hexanoic acid (phenylmethyl) ester benzyl 2-(benzyloxycarbonylamino)-6-[[2-[(1-benzyloxycarbonyl-2-methyl-propyl)amino]-1-(benzylsulfanylmethyl)-2-oxo-ethyl]amino]-6-oxo-hexanoate benzyl 6-[[3-benzylsulfanyl-1-[(3-methyl-1-oxo-1-phenylmethoxybutan-2-yl)amino]-1-oxopropan-2-yl]amino]-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate d-Valine, N-[N-[1,6-dioxo-6-(phenylmethoxy)-5-[[(phenylmethoxy)carbonyl]amino]hexyl]-S-(phenylmethyl)-l-cysteinyl]-, phenylmethyl ester, (S)-
Wiley ID 1486727