(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-butanoyl]amino]-3-carboxy-propanoyl]amino]acetyl]amino]-4-methyl-pentanoic acid

SpectraBase Compound ID	GRE97kPLJWj
InChI	InChI=1S/C20H35N5O8/c1-9(2)6-13(20(32)33)23-14(26)8-22-18(30)12(7-15(27)28)24-19(31)16(10(3)4)25-17(29)11(5)21/h9-13,16H,6-8,21H2,1-5H3,(H,22,30)(H,23,26)(H,24,31)(H,25,29)(H,27,28)(H,32,33)/t11-,12-,13-,16-/m0/s1
InChIKey	KRYJGDJUMAIRSZ-QCQGSNGOSA-N Google Search
Mol Weight	473.5 g/mol
Molecular Formula	C20H35N5O8
Exact Mass	473.248563 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	JpS2MKSQza3
Name	(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-butanoyl]amino]-3-carboxy-propanoyl]amino]acetyl]amino]-4-methyl-pentanoic acid
Carrier Gas	Helium
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	473.248563099 u
Formula	C20H35N5O8
GC Column	DB-WAX (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program	Oven temp 230oC
InChI	InChI=1S/C20H35N5O8/c1-9(2)6-13(20(32)33)23-14(26)8-22-18(30)12(7-15(27)28)24-19(31)16(10(3)4)25-17(29)11(5)21/h9-13,16H,6-8,21H2,1-5H3,(H,22,30)(H,23,26)(H,24,31)(H,25,29)(H,27,28)(H,32,33)/t11-,12-,13-,16-/m0/s1
InChIKey	KRYJGDJUMAIRSZ-QCQGSNGOSA-N
Instrument Name	Agilent GC-MS 7890
Ionization Type	EI
Literature Reference DOI	10.1016/j.fochx.2022.100224
Molecular Weight	473.527 g/mol
Quality	485
SMILES	N[C@](C(N[C@](C(=O)N[C@@](CC(=O)O)(C(NCC(N[C@](C(O)=O)(CC(C)C)[H])=O)=O)[H])(C(C)C)[H])=O)(C)[H]
SPLASH	splash10-00du-4921000000-c4869520d21e77e7bcc9
Source of Spectrum	FCX-13-SM2-AVDGL (DOI: 10.1016/j.fochx.2022.100224)
Wiley ID	1909584