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Heptanoic acid, (3RS,4S)-4-[(t-butoxycarbonyl-(R)-phenylalanyl-(S)-alanyl)amino]-3,6-dimethyl-, ethyl ester
SpectraBase Compound ID Jgf16eROS4D
InChI InChI=1S/C28H45N3O6/c1-9-36-24(32)16-19(4)22(15-18(2)3)30-25(33)20(5)29-26(34)23(17-21-13-11-10-12-14-21)31-27(35)37-28(6,7)8/h10-14,18-20,22-23H,9,15-17H2,1-8H3,(H,29,34)(H,30,33)(H,31,35)
InChIKey URPJISXYKLONHI-UHFFFAOYSA-N
Mol Weight 519.7 g/mol
Molecular Formula C28H45N3O6
Exact Mass 519.330836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrVnDkVM4EW
Name HEPTANOIC ACID, (3RS,4S)-4-[(tert-BUTYLOXYCARBONYL-(R)-PHENYLALANYL-(S)-ALANYL)AMINO]-3,6-DIMETHYL-, ETHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H45N3O6
InChI InChI=1S/C28H45N3O6/c1-9-36-24(32)16-19(4)22(15-18(2)3)30-25(33)20(5)29-26(34)23(17-21-13-11-10-12-14-21)31-27(35)37-28(6,7)8/h10-14,18-20,22-23H,9,15-17H2,1-8H3,(H,29,34)(H,30,33)(H,31,35)
InChIKey URPJISXYKLONHI-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 519.3297
SMILES N(C(C(NC(C(NC(CC(C)C)C(C)CC(OCC)=O)=O)C)=O)Cc1ccccc1)C(=O)OC(C)(C)C
SPLASH splash10-052f-9420000000-e0a660b8c0d56203a116
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany