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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 1IcObYlYmud
Name HEPTANOIC ACID, (3RS,4S)-4-[(tert-BUTYLOXYCARBONYL-(S)-PHENYLALANYL-(S)-ALANYL)AMINO]-3-(1,1-DIMETHYLETHYL)-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
Instrument Name 311A
Molecular Weight 561.3765
SMILES N(C(C(NC(C(NC(CC(C)C)C(C(C)(C)C)CC(OCC)=O)=O)C)=O)Cc1ccccc1)C(=O)OC(C)(C)C
SPLASH splash10-029f-9332100000-3e400901cba65c5ca82c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany