N-[2'-(t-Butoxycarbonyl-L-alanyl)-1'-oxo-1',2'-thiazetidin-3'-yl]acetyl}-!1-oxo-L-(phenylalanyl)glycyne - Methyl Ester - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	EaC1VguQeXA
InChI	InChI=1S/C24H34N4O9S/c1-15(26-23(33)37-24(2,3)4)22(32)28-17(14-38(28,34)35)12-19(29)27-18(11-16-9-7-6-8-10-16)21(31)25-13-20(30)36-5/h6-10,15,17-18H,11-14H2,1-5H3,(H,25,31)(H,26,33)(H,27,29)/t15-,17?,18-/m0/s1
InChIKey	PZZHXUWGNSZFOH-YKOWGRMDSA-N Google Search
Mol Weight	554.6 g/mol
Molecular Formula	C24H34N4O9S
Exact Mass	554.20465 g/mol

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SpectraBase Spectrum ID	3A5ynlAyQRG
Name	N-[2'-(t-Butoxycarbonyl-L-alanyl)-1'-oxo-1',2'-thiazetidin-3'-yl]acetyl}-!1-oxo-L-(phenylalanyl)glycyne - Methyl Ester
Alternate Name(s)	2-[[(2S)-2-[[2-[2-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-1,1-dioxo-3-thiazetidinyl]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]acetic acid methyl ester methyl 2-[[(2S)-2-[[2-[2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-1,1-dioxothiazetidin-3-yl]acetyl]amino]-3-phenylpropanoyl]amino]acetate methyl 2-[[(2S)-2-[[2-[2-[(2S)-2-(tert-butoxycarbonylamino)propanoyl]-1,1-dioxo-thiazetidin-3-yl]acetyl]amino]-3-phenyl-propanoyl]amino]acetate methyl 2-[[(2S)-2-[2-[2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-1,1-bis(oxidanylidene)-1,2-thiazetidin-3-yl]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H34N4O9S
InChI	InChI=1S/C24H34N4O9S/c1-15(26-23(33)37-24(2,3)4)22(32)28-17(14-38(28,34)35)12-19(29)27-18(11-16-9-7-6-8-10-16)21(31)25-13-20(30)36-5/h6-10,15,17-18H,11-14H2,1-5H3,(H,25,31)(H,26,33)(H,27,29)/t15-,17?,18-/m0/s1
InChIKey	PZZHXUWGNSZFOH-YKOWGRMDSA-N
Molecular Weight	554.615 g/mol
SMILES	N(C(OC(C)(C)C)=O)[C@](C(N1S(CC1CC(N[C@](C(NCC(=O)OC)=O)(Cc1ccccc1)[H])=O)(=O)=O)=O)(C)[H]
SPLASH	splash10-0a4i-9000100000-b47306bba9fb29faf09c
Source of Spectrum	AH-135-67-20
Wiley ID	1576339