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Heptanoic acid, (3RS,4S)-4-[(t-butoxycarbonyl-(S)-phenylalanyl-(S)-alanyl)amino]-3-(t-butyl)-6-methyl-, ethyl ester
SpectraBase Compound ID Kd7LaBDNYmn
InChI InChI=1S/C31H51N3O6/c1-11-39-26(35)19-23(30(5,6)7)24(17-20(2)3)33-27(36)21(4)32-28(37)25(18-22-15-13-12-14-16-22)34-29(38)40-31(8,9)10/h12-16,20-21,23-25H,11,17-19H2,1-10H3,(H,32,37)(H,33,36)(H,34,38)
InChIKey LSCJRLZTVUSYAV-UHFFFAOYSA-N
Mol Weight 561.8 g/mol
Molecular Formula C31H51N3O6
Exact Mass 561.377786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B18LehMxSC0
Name Heptanoic acid, (3RS,4S)-4-[(t-butoxycarbonyl-(S)-phenylalanyl-(S)-alanyl)amino]-3-(t-butyl)-6-methyl-, ethyl ester
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Formula C31H51N3O6
InChI InChI=1S/C31H51N3O6/c1-11-39-26(35)19-23(30(5,6)7)24(17-20(2)3)33-27(36)21(4)32-28(37)25(18-22-15-13-12-14-16-22)34-29(38)40-31(8,9)10/h12-16,20-21,23-25H,11,17-19H2,1-10H3,(H,32,37)(H,33,36)(H,34,38)
InChIKey LSCJRLZTVUSYAV-UHFFFAOYSA-N
Molecular Weight 561.764 g/mol
SMILES N(C(C(NC(C(NC(OC(C)(C)C)=O)Cc1ccccc1)=O)C)=O)C(C(CC(=O)OCC)C(C)(C)C)CC(C)C
SPLASH splash10-029f-9332100000-4a7764226eb0cfae8d29
Synonyms 3-tert-Butyl-6-methyl-4-[[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]heptanoic acid ethyl ester 4-[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]propanoylamino]-3-tert-butyl-6-methyl-enanthic acid ethyl ester Heptanoic acid, (3RS,4S)-4-[(t-butoxycarbonyl-(R)-phenylalanyl-(S)-alanyl)amino]-3-(t-butyl)-6-methyl-, ethyl ester Ethyl 3-tert-butyl-6-methyl-4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoylamino]heptanoate Ethyl 6-benzyl-13-tert-butyl-12-isobutyl-2,2,9-trimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazapentadecan-15-oate Ethyl 3-tert-butyl-6-methyl-4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]propanoylamino]heptanoate Ethyl 4-[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]propanoylamino]-3-tert-butyl-6-methyl-heptanoate
Wiley ID 1492954