L-Leucine, N-[N-[N-[N-[N-[N-(2-pyridinylmethylene)-L-valyl]-L-isoleucyl]-L-alanyl]-L-leucyl]-L-leucyl]-, methyl ester

SpectraBase Compound ID	3hKquQOgmOl
InChI	InChI=1S/C39H65N7O7/c1-13-26(10)33(46-37(50)32(25(8)9)41-21-28-16-14-15-17-40-28)38(51)42-27(11)34(47)43-29(18-22(2)3)35(48)44-30(19-23(4)5)36(49)45-31(20-24(6)7)39(52)53-12/h14-17,21-27,29-33H,13,18-20H2,1-12H3,(H,42,51)(H,43,47)(H,44,48)(H,45,49)(H,46,50)/b41-21+/t26-,27-,29-,30-,31-,32-,33-/m0/s1
InChIKey	XQJFQPQJEHWEBS-STWKBILOSA-N Google Search
Mol Weight	744.0 g/mol
Molecular Formula	C39H65N7O7
Exact Mass	743.494547 g/mol

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SpectraBase Spectrum ID	7OhRiVzj7yB
Name	L-Leucine, N-[N-[N-[N-[N-[N-(2-pyridinylmethylene)-L-valyl]-L-isoleucyl]-L-alanyl]-L-leucyl]-L-leucyl]-, methyl ester
Alternate Name(s)	2-Pyridylmethylidene valylisoleucylalanylleucylleucylleucine Methyl (1E,3S,6S,9S,12S,15S,18S)-12,15,18-triisobutyl-3-isopropyl-9-methyl-6-[(1S)-1-methylpropyl]-4,7,10,13,16-pentaoxo-1-(2-pyridinyl)-2,5,8,11,14,17-hexaazanonadec-1-en-19-oate
CAS Registry Number	42547-82-0
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C39H65N7O7
InChI	InChI=1S/C39H65N7O7/c1-13-26(10)33(46-37(50)32(25(8)9)41-21-28-16-14-15-17-40-28)38(51)42-27(11)34(47)43-29(18-22(2)3)35(48)44-30(19-23(4)5)36(49)45-31(20-24(6)7)39(52)53-12/h14-17,21-27,29-33H,13,18-20H2,1-12H3,(H,42,51)(H,43,47)(H,44,48)(H,45,49)(H,46,50)/b41-21+/t26-,27-,29-,30-,31-,32-,33-/m0/s1
InChIKey	XQJFQPQJEHWEBS-STWKBILOSA-N
Molecular Weight	743.991 g/mol
SMILES	N(C([C@@](\N=C\c1ncccc1)(C(C)C)[H])=O)[C@](C(N[C@](C(N[C@](C(N[C@](C(N[C@](C(=O)OC)(CC(C)C)[H])=O)(CC(C)C)[H])=O)(CC(C)C)[H])=O)(C)[H])=O)([C@](CC)(C)[H])[H]
SPLASH	splash10-0059-0933110000-8d5242003e15e55bba0b
Source of Spectrum	O7-0-817-0
Wiley ID	1416174