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N-[(E,1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(1S,2R)-2-hydroxyindan-1-yl]carbamoyl]-6-phenyl-hex-5-enyl]carbamic acid tert-butyl ester
SpectraBase Compound ID HBXjwnyd3Td
InChI InChI=1S/C34H40N2O5/c1-34(2,3)41-33(40)35-28(20-24-14-8-5-9-15-24)29(37)22-26(19-18-23-12-6-4-7-13-23)32(39)36-31-27-17-11-10-16-25(27)21-30(31)38/h4-19,26,28-31,37-38H,20-22H2,1-3H3,(H,35,40)(H,36,39)/b19-18+/t26-,28+,29+,30-,31+/m1/s1
InChIKey QFHPTYBPXJMBBR-KNDNNHRTSA-N
Mol Weight 556.7 g/mol
Molecular Formula C34H40N2O5
Exact Mass 556.293722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrEcyrJ224R
Name N-[(E,1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(1S,2R)-2-hydroxyindan-1-yl]carbamoyl]-6-phenyl-hex-5-enyl]carbamic acid tert-butyl ester
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Formula C34H40N2O5
InChI InChI=1S/C34H40N2O5/c1-34(2,3)41-33(40)35-28(20-24-14-8-5-9-15-24)29(37)22-26(19-18-23-12-6-4-7-13-23)32(39)36-31-27-17-11-10-16-25(27)21-30(31)38/h4-19,26,28-31,37-38H,20-22H2,1-3H3,(H,35,40)(H,36,39)/b19-18+/t26-,28+,29+,30-,31+/m1/s1
InChIKey QFHPTYBPXJMBBR-KNDNNHRTSA-N
Molecular Weight 556.703 g/mol
SMILES N([C@@]1([C@@](Cc2c1cccc2)(O)[H])[H])C([C@@](C[C@@]([C@@](NC(OC(C)(C)C)=O)(Cc1ccccc1)[H])(O)[H])(\C=C\c1ccccc1)[H])=O
SPLASH splash10-0a4i-9000000000-059aedab28d97953c015
Source of Spectrum J-59-3768-3
Synonyms N-[(E,2S,3S,5S)-3-hydroxy-5-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-oxomethyl]-1,7-diphenylhept-6-en-2-yl]carbamic acid tert-butyl ester tert-Butyl N-[(E,1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(1S,2R)-2-hydroxyindan-1-yl]carbamoyl]-6-phenyl-hex-5-enyl]carbamate tert-Butyl N-[(E,2S,3S,5S)-3-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]-1,7-diphenylhept-6-en-2-yl]carbamate tert-Butyl N-[(E,2S,3S,5S)-3-oxidanyl-5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]-1,7-diphenyl-hept-6-en-2-yl]carbamate
Wiley ID 1406426