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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 L8O378xBzpD
Name D-VALINE, N-[N-[1,6-DIOXO-6-(PHENYLMETHOXY)-5-[[(PHENYLMETHOXY)CARBONYL]AMINO]HEXYL]-S-(PHENYLMETHYL)-L-CYSTEINYL]-, PHENYLMETHYL ES
Alternate Name(s) D-VALINE, N-[N-[1,6-DIOXO-6-(PHENYLMETHOXY)-5-[[(PHENYLMETHOXY)CARBONYL]AMINO]HEXYL]-S-(PHENYLMETHYL)-L-CYSTEINYL]-, PHENYLMETHYL ESTER, (S)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 767.3228
SMILES N(C(OCc1ccccc1)=O)C(CCCC(NC(C(NC(C(C)C)C(OCc1ccccc1)=O)=O)CSCc1ccccc1)=O)C(OCc1ccccc1)=O
SPLASH splash10-0adl-9410000000-d5573f7cf639a1b7b6a9
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany