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allyl (2S)-2-[[(2S,3S)-3-(N-(2-allyloxycarbonyl-3-phenyl-allyl)-4-methoxy-anilino)-2-hydroxy-3-phenyl-propanoyl]amino]-4-methyl-pentanoate

View entire compound with spectra: 1 MS (GC)

allyl (2S)-2-[[(2S,3S)-3-(N-(2-allyloxycarbonyl-3-phenyl-allyl)-4-methoxy-anilino)-2-hydroxy-3-phenyl-propanoyl]amino]-4-methyl-pentanoate
SpectraBase Compound ID HBSS5ARK89n
InChI InChI=1S/C38H44N2O7/c1-6-22-46-37(43)30(25-28-14-10-8-11-15-28)26-40(31-18-20-32(45-5)21-19-31)34(29-16-12-9-13-17-29)35(41)36(42)39-33(24-27(3)4)38(44)47-23-7-2/h6-21,25,27,33-35,41H,1-2,22-24,26H2,3-5H3,(H,39,42)/t33-,34-,35-/m0/s1
InChIKey VYXUQXICPLRIKC-IMKBVMFZSA-N
Mol Weight 640.8 g/mol
Molecular Formula C38H44N2O7
Exact Mass 640.314852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrkkHpBuy0U
Name allyl (2S)-2-[[(2S,3S)-3-(N-(2-allyloxycarbonyl-3-phenyl-allyl)-4-methoxy-anilino)-2-hydroxy-3-phenyl-propanoyl]amino]-4-methyl-pentanoate
Appearance Gum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 640.314851758 u
Formula C38H44N2O7
InChI InChI=1S/C38H44N2O7/c1-6-22-46-37(43)30(25-28-14-10-8-11-15-28)26-40(31-18-20-32(45-5)21-19-31)34(29-16-12-9-13-17-29)35(41)36(42)39-33(24-27(3)4)38(44)47-23-7-2/h6-21,25,27,33-35,41H,1-2,22-24,26H2,3-5H3,(H,39,42)/t33-,34-,35-/m0/s1
InChIKey VYXUQXICPLRIKC-IMKBVMFZSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0002.803
Molecular Weight 640.777 g/mol
SMILES O[C@](C(=O)N[C@](C(OCC=C)=O)(CC(C)C)[H])([C@@](N(CC(C(OCC=C)=O)=CC1=CC=CC=C1)C1=CC=C(C=C1)OC)(C1=CC=CC=C1)[H])[H]
SPLASH splash10-03dl-0020907000-7b61d7b7e88b8c3cb751
Source of Spectrum ARK-2001-26-3c (DOI: 10.3998/ark.5550190.0002.803)
Wiley ID 1908855