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[(1SR)-Benzyloxycarbonylamino-(4R)-(naphthalen-2-ylcarbamoyl)-2-iodopent-(2Z)-enyl]benzoic acid methyl ester
SpectraBase Compound ID LCiv7Ny0aYV
InChI InChI=1S/C32H29IN2O5/c1-21(30(36)34-27-17-16-23-10-6-7-11-26(23)19-27)18-28(33)29(24-12-14-25(15-13-24)31(37)39-2)35-32(38)40-20-22-8-4-3-5-9-22/h3-19,21,29H,20H2,1-2H3,(H,34,36)(H,35,38)/b28-18-/t21-,29?/m1/s1
InChIKey UMQMNRWHIKZZFG-CFHVGUEQSA-N
Mol Weight 648.5 g/mol
Molecular Formula C32H29IN2O5
Exact Mass 648.112117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FzBGageDMc
Name [(1SR)-Benzyloxycarbonylamino-(4R)-(naphthalen-2-ylcarbamoyl)-2-iodopent-(2Z)-enyl]benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H29IN2O5
InChI InChI=1S/C32H29IN2O5/c1-21(30(36)34-27-17-16-23-10-6-7-11-26(23)19-27)18-28(33)29(24-12-14-25(15-13-24)31(37)39-2)35-32(38)40-20-22-8-4-3-5-9-22/h3-19,21,29H,20H2,1-2H3,(H,34,36)(H,35,38)/b28-18-/t21-,29?/m1/s1
InChIKey UMQMNRWHIKZZFG-CFHVGUEQSA-N
Literature Reference DOI 10.1002/adsc.200505171
Molecular Weight 648.497 g/mol
SMILES N(C(=O)OCc1ccccc1)C(\C(=C\[C@](C(=O)Nc1cc2c(cc1)cccc2)(C)[H])I)c1ccc(cc1)C(OC)=O
SPLASH splash10-0a4l-9400000000-3bf7d0538896c958ea70
Source of Spectrum ASC-347-1605/SM21-14
Synonyms Methyl 4-((4R,Z)-1-(((benzyloxy)carbonyl)amino)-2-iodo-4-methyl-5-(naphthalen-2-ylamino)-5-oxopent-2-en-1-yl)benzoate 4-[(Z,4R)-2-iodo-4-methyl-5-(2-naphthalenylamino)-5-oxo-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoic acid methyl ester Methyl 4-[(Z,4R)-2-iodo-4-methyl-5-(naphthalen-2-ylamino)-5-oxo-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Methyl 4-[(Z,4R)-1-(benzyloxycarbonylamino)-2-iodo-4-methyl-5-(2-naphthylamino)-5-oxo-pent-2-enyl]benzoate Methyl 4-[(Z,4R)-2-iodanyl-4-methyl-5-(naphthalen-2-ylamino)-5-oxidanylidene-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate
Wiley ID 1767720