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(2R)-2-[[(2R)-3-(benzhydrylthio)-2-[(2-iodoacetyl)amino]propanoyl]amino]-3-methyl-butyric acid benzhydryl ester
SpectraBase Compound ID CM7fXgCrjeL
InChI InChI=1S/C36H37IN2O4S/c1-25(2)32(36(42)43-33(26-15-7-3-8-16-26)27-17-9-4-10-18-27)39-35(41)30(38-31(40)23-37)24-44-34(28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,25,30,32-34H,23-24H2,1-2H3,(H,38,40)(H,39,41)/t30-,32+/m0/s1
InChIKey APVFLMZGGUWOPM-XDFJSJKPSA-N
Mol Weight 720.7 g/mol
Molecular Formula C36H37IN2O4S
Exact Mass 720.151874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90U1NSDNvqV
Name (2R)-2-[[(2R)-3-(benzhydrylthio)-2-[(2-iodoacetyl)amino]propanoyl]amino]-3-methyl-butyric acid benzhydryl ester
Alternate Name(s) (2R)-2-[[(2R)-3-[(diphenylmethyl)thio]-2-[(2-iodo-1-oxoethyl)amino]-1-oxopropyl]amino]-3-methylbutanoic acid (diphenylmethyl) ester (diphenylmethyl) (2R)-2-[[(2R)-3-(diphenylmethyl)sulfanyl-2-(2-iodanylethanoylamino)propanoyl]amino]-3-methyl-butanoate benzhydryl (2R)-2-[[(2R)-3-benzhydrylsulfanyl-2-[(2-iodoacetyl)amino]propanoyl]amino]-3-methyl-butanoate
CAS Registry Number 113787-89-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H37IN2O4S
InChI InChI=1S/C36H37IN2O4S/c1-25(2)32(36(42)43-33(26-15-7-3-8-16-26)27-17-9-4-10-18-27)39-35(41)30(38-31(40)23-37)24-44-34(28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,25,30,32-34H,23-24H2,1-2H3,(H,38,40)(H,39,41)/t30-,32+/m0/s1
InChIKey APVFLMZGGUWOPM-XDFJSJKPSA-N
Molecular Weight 720.666 g/mol
SMILES N([C@@](C(OC(c1ccccc1)c1ccccc1)=O)(C(C)C)[H])C([C@@](NC(=O)CI)(CSC(c1ccccc1)c1ccccc1)[H])=O
SPLASH splash10-014i-0900000000-a6a1d5d4361e10b48b5b
Source of Spectrum F-43-2573-18
Wiley ID 1415622