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L-Cysteine, S-(2-methoxy-2-oxoethyl)-N-[N-[N-[N-(1-oxopropyl)-L-phenylalanyl]-L-leucyl]glycyl]-, methyl ester
SpectraBase Compound ID DeYFpj9GAtr
InChI InChI=1S/C27H40N4O8S/c1-6-22(32)29-20(13-18-10-8-7-9-11-18)26(36)31-19(12-17(2)3)25(35)28-14-23(33)30-21(27(37)39-5)15-40-16-24(34)38-4/h7-11,17,19-21H,6,12-16H2,1-5H3,(H,28,35)(H,29,32)(H,30,33)(H,31,36)
InChIKey HBIFAJIXPAZQOJ-UHFFFAOYSA-N
Mol Weight 580.7 g/mol
Molecular Formula C27H40N4O8S
Exact Mass 580.256685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qKiF8tjMwp
Name L-Cysteine, S-(2-methoxy-2-oxoethyl)-N-[N-[N-[N-(1-oxopropyl)-L-phenylalanyl]-L-leucyl]glycyl]-, methyl ester
CAS Registry Number 35146-63-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40N4O8S
InChI InChI=1S/C27H40N4O8S/c1-6-22(32)29-20(13-18-10-8-7-9-11-18)26(36)31-19(12-17(2)3)25(35)28-14-23(33)30-21(27(37)39-5)15-40-16-24(34)38-4/h7-11,17,19-21H,6,12-16H2,1-5H3,(H,28,35)(H,29,32)(H,30,33)(H,31,36)
InChIKey HBIFAJIXPAZQOJ-UHFFFAOYSA-N
Molecular Weight 580.697 g/mol
SMILES N(C(C(NC(C(NCC(NC(CSCC(=O)OC)C(=O)OC)=O)=O)CC(C)C)=O)Cc1ccccc1)C(CC)=O
SPLASH splash10-0kdr-9412000000-297fa6cd9676e78f0b42
Source of Spectrum O-6-16-5
Synonyms Methyl 14-benzyl-11-isobutyl-5-(methoxycarbonyl)-7,10,13,16-tetraoxo-3-thia-6,9,12,15-tetraazaoctadecan-1-oate 3-[(2-keto-2-methoxy-ethyl)thio]-2-[[2-[[4-methyl-2-[(3-phenyl-2-propionamido-propanoyl)amino]pentanoyl]amino]acetyl]amino]propionic acid methyl ester 3-[(2-methoxy-2-oxoethyl)thio]-2-[[2-[[4-methyl-1-oxo-2-[[1-oxo-2-(1-oxopropylamino)-3-phenylpropyl]amino]pentyl]amino]-1-oxoethyl]amino]propanoic acid methyl ester Methyl 3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-[2-[[4-methyl-2-[[3-phenyl-2-(propanoylamino)propanoyl]amino]pentanoyl]amino]ethanoylamino]propanoate Methyl 3-(2-methoxy-2-oxo-ethyl)sulfanyl-2-[[2-[[4-methyl-2-[[3-phenyl-2-(propanoylamino)propanoyl]amino]pentanoyl]amino]acetyl]amino]propanoate
Wiley ID 1408479