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Glycinamide, N-[(phenylmethoxy)carbonyl]-L-isoleucyl-N-[4-(ethoxycarbonyl)phenyl]-
SpectraBase Compound ID Ef9tl8vzDPG
InChI InChI=1S/C25H31N3O6/c1-4-16(3)22(28-25(32)34-15-17-9-7-6-8-10-17)23(30)27-14-21(29)20-13-18(26)11-12-19(20)24(31)33-5-2/h6-13,16,22H,4-5,14-15,26H2,1-3H3,(H,27,30)(H,28,32)/t16-,22-/m0/s1
InChIKey DPZSDANMTAUDCY-AOMKIAJQSA-N
Mol Weight 469.54 g/mol
Molecular Formula C25H31N3O6
Exact Mass 469.221286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xhlCdv0WCg
Name Glycinamide, N-[(phenylmethoxy)carbonyl]-L-isoleucyl-N-[4-(ethoxycarbonyl)phenyl]-
Alternate Name(s) Ethyl 4-amino-2-{[((2S,3S)-2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoyl)amino]acetyl}benzoate Ethyl N-(benzyloxycarbonyl)-isoleucyl-glycyl-4-aminobenzoate
CAS Registry Number 116044-10-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31N3O6
InChI InChI=1S/C25H31N3O6/c1-4-16(3)22(28-25(32)34-15-17-9-7-6-8-10-17)23(30)27-14-21(29)20-13-18(26)11-12-19(20)24(31)33-5-2/h6-13,16,22H,4-5,14-15,26H2,1-3H3,(H,27,30)(H,28,32)/t16-,22-/m0/s1
InChIKey DPZSDANMTAUDCY-AOMKIAJQSA-N
Molecular Weight 469.538 g/mol
SMILES Nc1ccc(c(C(CNC([C@@](NC(=O)OCc2ccccc2)([C@](CC)(C)[H])[H])=O)=O)c1)C(=O)OCC
SPLASH splash10-03di-0009000000-a7feccf6502cbfe84e32
Source of Spectrum H-71-150-5
Wiley ID 1392640