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(S)-N-[tert-Butyloxycarbonyl]-O-[5-[2-[(tert-butyloxycarbonyl)amino]-2-(methoxycarbonyl)ethyl]-2-methoxyphenyl]-L-tyrosine methyl ester
SpectraBase Compound ID 7GdAS70sJYQ
InChI InChI=1S/C31H42N2O10/c1-30(2,3)42-28(36)32-22(26(34)39-8)16-19-10-13-21(14-11-19)41-25-18-20(12-15-24(25)38-7)17-23(27(35)40-9)33-29(37)43-31(4,5)6/h10-15,18,22-23H,16-17H2,1-9H3,(H,32,36)(H,33,37)/t22-,23-/m0/s1
InChIKey ZJLXJNPCEKOJGH-GOTSBHOMSA-N
Mol Weight 602.7 g/mol
Molecular Formula C31H42N2O10
Exact Mass 602.283946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7G7gyV1uFsH
Name (S)-N-[tert-Butyloxycarbonyl]-O-[5-[2-[(tert-butyloxycarbonyl)amino]-2-(methoxycarbonyl)ethyl]-2-methoxyphenyl]-L-tyrosine methyl ester
Alternate Name(s) (S)-2-tert-Butoxycarbonylamino-3-{3-[4-((S)-2-tert-butoxycarbonylamino-2-methoxycarbonyl-ethyl)-phenoxy]-4-methoxy-phenyl}-propionic acid methyl ester Methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-[4-(5-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-2-methoxyphenoxy)phenyl]propanoate
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Formula C31H42N2O10
InChI InChI=1S/C31H42N2O10/c1-30(2,3)42-28(36)32-22(26(34)39-8)16-19-10-13-21(14-11-19)41-25-18-20(12-15-24(25)38-7)17-23(27(35)40-9)33-29(37)43-31(4,5)6/h10-15,18,22-23H,16-17H2,1-9H3,(H,32,36)(H,33,37)/t22-,23-/m0/s1
InChIKey ZJLXJNPCEKOJGH-GOTSBHOMSA-N
Molecular Weight 602.681 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](Cc1ccc(Oc2cc(C[C@](NC(OC(C)(C)C)=O)(C(=O)OC)[H])ccc2OC)cc1)(C(=O)OC)[H]
SPLASH splash10-0a6s-9078000000-37edb93c9d0817d5b575
Source of Spectrum F-55-10533-6
Wiley ID 838996