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Methyl {2'-{[(t-Butyloxy)carbonyl]aminomethyl}biphenyl-2-carbonyl}-L-alanyl-L-valylglycinate
SpectraBase Compound ID A4daSoXNCw7
InChI InChI=1S/C30H40N4O7/c1-18(2)25(33-26(36)19(3)31)28(38)34(17-24(35)40-7)27(37)23-15-11-10-14-22(23)21-13-9-8-12-20(21)16-32-29(39)41-30(4,5)6/h8-15,18-19,25H,16-17,31H2,1-7H3,(H,32,39)(H,33,36)/t19-,25-/m0/s1
InChIKey ZJHDBXGCDIIOBF-DFBJGRDBSA-N
Mol Weight 568.7 g/mol
Molecular Formula C30H40N4O7
Exact Mass 568.2897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRS2dX2kQ3C
Name Methyl {2'-{[(t-Butyloxy)carbonyl]aminomethyl}biphenyl-2-carbonyl}-L-alanyl-L-valylglycinate
Alternate Name(s) Methyl {((2S)-2-{[(2S)-2-aminopropanoyl]amino}-3-methylbutanoyl)[(2'-{[(tert-butoxycarbonyl)amino]methyl}[1,1'-biphenyl]-2-yl)carbonyl]amino}acetate
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Formula C30H40N4O7
InChI InChI=1S/C30H40N4O7/c1-18(2)25(33-26(36)19(3)31)28(38)34(17-24(35)40-7)27(37)23-15-11-10-14-22(23)21-13-9-8-12-20(21)16-32-29(39)41-30(4,5)6/h8-15,18-19,25H,16-17,31H2,1-7H3,(H,32,39)(H,33,36)/t19-,25-/m0/s1
InChIKey ZJHDBXGCDIIOBF-DFBJGRDBSA-N
Molecular Weight 568.671 g/mol
SMILES N(C(OC(C)(C)C)=O)Cc1c(-c2c(C(N(C([C@@](NC([C@@](N)(C)[H])=O)(C(C)C)[H])=O)CC(=O)OC)=O)cccc2)cccc1
SPLASH splash10-0gl9-0009440000-30f6b83232b72c3260fc
Source of Spectrum H-77-83-12
Wiley ID 1407505