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[(1SR)-Benzyloxycarbonylamino-(4R)-carboxy-2-iodopent-(2Z)-enyl]benzoic acid methyl ester
SpectraBase Compound ID KQo7JjlHfeZ
InChI InChI=1S/C22H22INO6/c1-14(20(25)26)12-18(23)19(16-8-10-17(11-9-16)21(27)29-2)24-22(28)30-13-15-6-4-3-5-7-15/h3-12,14,19H,13H2,1-2H3,(H,24,28)(H,25,26)/b18-12-/t14-,19?/m1/s1
InChIKey JWNVKVPTDVUQJM-RBRMTFGZSA-N
Mol Weight 523.32 g/mol
Molecular Formula C22H22INO6
Exact Mass 523.049182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FLRLvdyYt5
Name [(1SR)-Benzyloxycarbonylamino-(4R)-carboxy-2-iodopent-(2Z)-enyl]benzoic acid methyl ester
Alternate Name(s) (2R,Z)-5-(((benzyloxy)carbonyl)amino)-4-iodo-5-(4-(methoxycarbonyl)phenyl)-2-methylpent-3-enoic acid (Z,2R)-4-iodo-5-(4-methoxycarbonylphenyl)-2-methyl-5-(phenylmethoxycarbonylamino)-3-pentenoic acid (Z,2R)-4-iodo-5-(4-methoxycarbonylphenyl)-2-methyl-5-(phenylmethoxycarbonylamino)pent-3-enoic acid (Z,2R)-5-(benzyloxycarbonylamino)-4-iodo-5-(4-methoxycarbonylphenyl)-2-methyl-pent-3-enoic acid (Z,2R)-4-iodanyl-5-(4-methoxycarbonylphenyl)-2-methyl-5-(phenylmethoxycarbonylamino)pent-3-enoic acid
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Formula C22H22INO6
InChI InChI=1S/C22H22INO6/c1-14(20(25)26)12-18(23)19(16-8-10-17(11-9-16)21(27)29-2)24-22(28)30-13-15-6-4-3-5-7-15/h3-12,14,19H,13H2,1-2H3,(H,24,28)(H,25,26)/b18-12-/t14-,19?/m1/s1
InChIKey JWNVKVPTDVUQJM-RBRMTFGZSA-N
Literature Reference DOI 10.1002/adsc.200505171
Molecular Weight 523.323 g/mol
SMILES N(C(\C(=C\[C@](C(=O)O)(C)[H])I)c1ccc(C(OC)=O)cc1)C(=O)OCc1ccccc1
SPLASH splash10-0006-9200000000-bd4cf72b9382929eafa8
Source of Spectrum ASC-347-1605/SM21-13b
Wiley ID 1767718