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Cyclo(phenylalanyl-D-tryptophyl-[E-benzyloxycarbonyl-lysyl]-threonyl-phenylalanyl-prolyl)
SpectraBase Compound ID DDnvJpP76uY
InChI InChI=1S/C52H60N8O9/c1-33(61)45-50(66)58-43(29-35-18-7-3-8-19-35)51(67)60-27-15-25-44(60)49(65)57-41(28-34-16-5-2-6-17-34)47(63)56-42(30-37-31-54-39-23-12-11-22-38(37)39)48(64)55-40(46(62)59-45)24-13-14-26-53-52(68)69-32-36-20-9-4-10-21-36/h2-12,16-23,31,33,40-45,54,61H,13-15,24-30,32H2,1H3,(H,53,68)(H,55,64)(H,56,63)(H,57,65)(H,58,66)(H,59,62)
InChIKey BTMVOENACQUEOL-UHFFFAOYSA-N
Mol Weight 941.1 g/mol
Molecular Formula C52H60N8O9
Exact Mass 940.448326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8CoPrwN0J1P
Name Cyclo(phenylalanyl-D-tryptophyl-[E-benzyloxycarbonyl-lysyl]-threonyl-phenylalanyl-prolyl)
CAS Registry Number 87282-39-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C52H60N8O9
InChI InChI=1S/C52H60N8O9/c1-33(61)45-50(66)58-43(29-35-18-7-3-8-19-35)51(67)60-27-15-25-44(60)49(65)57-41(28-34-16-5-2-6-17-34)47(63)56-42(30-37-31-54-39-23-12-11-22-38(37)39)48(64)55-40(46(62)59-45)24-13-14-26-53-52(68)69-32-36-20-9-4-10-21-36/h2-12,16-23,31,33,40-45,54,61H,13-15,24-30,32H2,1H3,(H,53,68)(H,55,64)(H,56,63)(H,57,65)(H,58,66)(H,59,62)
InChIKey BTMVOENACQUEOL-UHFFFAOYSA-N
Instrument Name Bruker WH-270
Literature Reference H. Kessler, M. Bernd, H. Kogler, J. Am. Chem. Soc. 105, 6944 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6