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N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-keto-ethyl)-12-isopropyl-2,5,8,11,14-pentaketo-16-methyl-3-sec-butyl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(3-bromo-4-hydroxy-phenyl)pelargonamide

Compound with spectra: 1 NMR

N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-keto-ethyl)-12-isopropyl-2,5,8,11,14-pentaketo-16-methyl-3-sec-butyl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(3-bromo-4-hydroxy-phenyl)pelargonamide
SpectraBase Compound ID CK196xYr0ik
InChI InChI=1S/C38H58BrN7O10/c1-6-21(4)32-38(55)56-22(5)33(44-30(50)14-12-10-8-7-9-11-13-23-15-16-27(47)24(39)17-23)37(54)45-31(20(2)3)36(53)43-25(18-28(40)48)34(51)42-26(19-29(41)49)35(52)46-32/h15-17,20-22,25-26,31-33,47H,6-14,18-19H2,1-5H3,(H2,40,48)(H2,41,49)(H,42,51)(H,43,53)(H,44,50)(H,45,54)(H,46,52)/t21-,22-,25+,26+,31+,32+,33+/m1/s1
InChIKey LXWLDOKFKJPJRY-SFVWLIGFSA-N
Mol Weight 852.8 g/mol
Molecular Formula C38H58BrN7O10
Exact Mass 851.342854 g/mol
Enantiomer InChIKey LXWLDOKFKJPJRY-STICPVBJSA-N

View Spectrum of N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-keto-ethyl)-12-isopropyl-2,5,8,11,14-pentaketo-16-methyl-3-sec-butyl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(3-bromo-4-hydroxy-phenyl)pelargonamide

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
(E)-N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-keto-ethyl)-12-isopropyl-2,5,8,11,14-pentaketo-16-methyl-3-sec-butyl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(3-bromo-4-hydroxy-phenyl)non-2-enamide
BROMOALTEROCHROMIDE-A
SYJBEJDMHATDLU-UHFFFAOYSA-N
DESOTAMIDE
XENEMATIDE
GYPSOPHIN-D;CYCLO-[PROLINE(1)-GLYCINE(2)-LEUCINE(3)-SERINE(4)-THREONINE(5)-ISOLEUCINE(6)-LEUCINE(7)-THREONINE(8)]
CYCLOLINOPEPTIDE-G'
CHERIMOLACYCLOPEPTIDE-D
TRANS-PRO-LHRH;LUTEINIZING-HORMON-RELEASING-HORMONE
BENZYLOXYCARBONYL-VALINE-(TERT-BUTYLOXYCARBONYL)LYSINE-VALINE-TYROSINE-PROLINE-O-TERT-BUTYL PENTAPEPTIDE
Title Journal or Book Year
Bromoalterochromides A and A′, Unprecedented Chromopeptides from a Marine Pseudoalteromonas maricaloris Strain KMM 636T† The Journal of Antibiotics 2007
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