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L-Threonine, N-[N-[N-[1-[N-[N-[N-(3-hydroxy-1-oxoeicosyl)-L-threonyl]-L-valyl]-L-alanyl]-L-prolyl]-L-leucyl]-L-valyl]-, .psi.-lactone

View entire compound with spectra: 1 MS (GC)

L-Threonine, N-[N-[N-[1-[N-[N-[N-(3-hydroxy-1-oxoeicosyl)-L-threonyl]-L-valyl]-L-alanyl]-L-prolyl]-L-leucyl]-L-valyl]-, .psi.-lactone
SpectraBase Compound ID 1IEA0a5QyI1
InChI InChI=1S/C52H93N7O11/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-38-31-41(62)55-44(36(9)60)50(67)57-42(33(4)5)48(65)53-35(8)51(68)59-29-26-28-40(59)47(64)54-39(30-32(2)3)46(63)56-43(34(6)7)49(66)58-45(37(10)61)52(69)70-38/h32-40,42-45,60-61H,11-31H2,1-10H3,(H,53,65)(H,54,64)(H,55,62)(H,56,63)(H,57,67)(H,58,66)
InChIKey OQJHFPCMZMMKQJ-UHFFFAOYSA-N
Mol Weight 992.4 g/mol
Molecular Formula C52H93N7O11
Exact Mass 991.693307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8AWjRnIqDOn
Name L-Threonine, N-[N-[N-[1-[N-[N-[N-(3-hydroxy-1-oxoeicosyl)-L-threonyl]-L-valyl]-L-alanyl]-L-prolyl]-L-leucyl]-L-valyl]-, .psi.-lactone
CAS Registry Number 56272-51-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H93N7O11
InChI InChI=1S/C52H93N7O11/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-38-31-41(62)55-44(36(9)60)50(67)57-42(33(4)5)48(65)53-35(8)51(68)59-29-26-28-40(59)47(64)54-39(30-32(2)3)46(63)56-43(34(6)7)49(66)58-45(37(10)61)52(69)70-38/h32-40,42-45,60-61H,11-31H2,1-10H3,(H,53,65)(H,54,64)(H,55,62)(H,56,63)(H,57,67)(H,58,66)
InChIKey OQJHFPCMZMMKQJ-UHFFFAOYSA-N
Molecular Weight 992.354 g/mol
SMILES N1C(C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)OC(CC(NC(C(NC(C(NC(C(=O)N2C(C1=O)CCC2)C)=O)C(C)C)=O)C(C)O)=O)CCCCCCCCCCCCCCCCC)CC(C)C
SPLASH splash10-002b-0049710111-9607f1a75d8f54e2ec7a
Source of Spectrum T-66-2782-0
Synonyms 12-Heptadecyl-1,4,7-trihydroxy-9,16-bis(1-hydroxyethyl)-3-isobutyl-6,19-diisopropyl-22-methyl-6,9,12,13,15,16,18,19,21,22,25,26,27,27a-tetradecahydropyrrolo[2,1-l][1,4,7,10,13,16,19,22]oxaheptaazacycl 13-heptadecyl-9,16-bis(1-hydroxyethyl)-22-isobutyl-6,19-diisopropyl-3-methyl-14-oxa-1,4,7,10,17,20,23-heptazabicyclo[23.3.0]octacosane-2,5,8,11,15,18,21,24-octone 13-heptadecyl-9,16-bis(1-hydroxyethyl)-22-isobutyl-6,19-diisopropyl-3-methyl-14-oxa-1,4,7,10,17,20,23-heptazabicyclo[23.3.0]octacosane-2,5,8,11,15,18,21,24-tetraquinone 13-heptadecyl-9,16-bis(1-hydroxyethyl)-3-methyl-22-(2-methylpropyl)-6,19-di(propan-2-yl)-14-oxa-1,4,7,10,17,20,23-heptazabicyclo[23.3.0]octacosane-2,5,8,11,15,18,21,24-octone
Wiley ID 1418365