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(S)-N-[(Phenylmethoxy)carbonyl]-O-[5-[2-[[(phenylmethoxy)cartbonyl]amino]-2-(methoxycarbonyl)ethyl]-2-methoxyphenyl]-L-tyrosine methyl ester
SpectraBase Compound ID HH4vC2Kc8F9
InChI InChI=1S/C37H38N2O10/c1-44-32-19-16-28(21-31(35(41)46-3)39-37(43)48-24-27-12-8-5-9-13-27)22-33(32)49-29-17-14-25(15-18-29)20-30(34(40)45-2)38-36(42)47-23-26-10-6-4-7-11-26/h4-19,22,30-31H,20-21,23-24H2,1-3H3,(H,38,42)(H,39,43)/t30-,31?/m0/s1
InChIKey VBQMIXFLCSPSDS-FSRLHOSWSA-N
Mol Weight 670.7 g/mol
Molecular Formula C37H38N2O10
Exact Mass 670.252645 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbDdKL1zU1h
Name (S)-N-[(Phenylmethoxy)carbonyl]-O-[5-[2-[[(phenylmethoxy)cartbonyl]amino]-2-(methoxycarbonyl)ethyl]-2-methoxyphenyl]-L-tyrosine methyl ester
Alternate Name(s) 2-Benzyloxycarbonylamino-3-{3-[4-((S)-2-benzyloxycarbonylamino-2-methoxycarbonyl-ethyl)-phenoxy]-4-methoxy-phenyl}-propionic acid methyl ester Methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-{4-[5-(2-{[(benzyloxy)carbonyl]amino}-3-methoxy-3-oxopropyl)-2-methoxyphenoxy]phenyl}propanoate
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Formula C37H38N2O10
InChI InChI=1S/C37H38N2O10/c1-44-32-19-16-28(21-31(35(41)46-3)39-37(43)48-24-27-12-8-5-9-13-27)22-33(32)49-29-17-14-25(15-18-29)20-30(34(40)45-2)38-36(42)47-23-26-10-6-4-7-11-26/h4-19,22,30-31H,20-21,23-24H2,1-3H3,(H,38,42)(H,39,43)/t30-,31?/m0/s1
InChIKey VBQMIXFLCSPSDS-FSRLHOSWSA-N
Molecular Weight 670.715 g/mol
SMILES N(C(=O)OCc1ccccc1)C(Cc1cc(Oc2ccc(C[C@](NC(=O)OCc3ccccc3)(C(=O)OC)[H])cc2)c(cc1)OC)C(=O)OC
SPLASH splash10-0006-9312000000-131fd3fb34bd63a71fbc
Source of Spectrum F-55-10531-6
Wiley ID 838997