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(2S,3R)-2-Methoxycarbonylamino-3-(4-methoxyphenyl)hexanedioic acid 1-Methyl ester
SpectraBase Compound ID I1wL5oagUgP
InChI InChI=1S/C16H21NO7/c1-22-11-6-4-10(5-7-11)12(8-9-13(18)19)14(15(20)23-2)17-16(21)24-3/h4-7,12,14H,8-9H2,1-3H3,(H,17,21)(H,18,19)/t12-,14+/m1/s1
InChIKey GKQPFUZMAJXJDP-OCCSQVGLSA-N
Mol Weight 339.34 g/mol
Molecular Formula C16H21NO7
Exact Mass 339.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xYYZQ6pz3p
Name (2S,3R)-2-Methoxycarbonylamino-3-(4-methoxyphenyl)hexanedioic acid 1-Methyl ester
Alternate Name(s) (2S,3R)-2-Methoxycarbonylamino-3-(4-methoxyphenyl)hexanoic acid 1-Methyl ester (4R,5S)-6-methoxy-5-[(methoxycarbonyl)amino]-4-(4-methoxyphenyl)-6-oxohexanoic acid (4R,5S)-6-methoxy-5-(methoxycarbonylamino)-4-(4-methoxyphenyl)-6-oxohexanoic acid (4R,5S)-6-methoxy-5-(methoxycarbonylamino)-4-(4-methoxyphenyl)-6-oxo-hexanoic acid (4R,5S)-6-methoxy-5-(methoxycarbonylamino)-4-(4-methoxyphenyl)-6-oxidanylidene-hexanoic acid
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Formula C16H21NO7
InChI InChI=1S/C16H21NO7/c1-22-11-6-4-10(5-7-11)12(8-9-13(18)19)14(15(20)23-2)17-16(21)24-3/h4-7,12,14H,8-9H2,1-3H3,(H,17,21)(H,18,19)/t12-,14+/m1/s1
InChIKey GKQPFUZMAJXJDP-OCCSQVGLSA-N
Molecular Weight 339.344 g/mol
SMILES N(C(=O)OC)[C@@]([C@](CCC(=O)O)(c1ccc(cc1)OC)[H])(C(=O)OC)[H]
SPLASH splash10-0006-0900000000-693f1ca4356c2f96c812
Source of Spectrum F-68-6683-11
Wiley ID 1573317