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N-{2-[(S)-1-N-[(9H)-Fluoren-9-ylmethoxy)carbonyl]amino-2-methylpropyl]-4H-3,1-benzoxazin-4-ylidene}-D-tryptophan methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-{2-[(S)-1-N-[(9H)-Fluoren-9-ylmethoxy)carbonyl]amino-2-methylpropyl]-4H-3,1-benzoxazin-4-ylidene}-D-tryptophan methyl ester
SpectraBase Compound ID 75N2KwAo1BB
InChI InChI=1S/C39H36N4O5/c1-23(2)35(43-39(45)47-22-31-28-15-6-4-13-26(28)27-14-5-7-16-29(27)31)37-41-33-19-11-9-17-30(33)36(48-37)42-34(38(44)46-3)20-24-21-40-32-18-10-8-12-25(24)32/h4-19,21,23,31,34-35,40H,20,22H2,1-3H3,(H,43,45)/b42-36-/t34?,35-/m0/s1
InChIKey YSMJPONBVGHQTK-VKXZVSJASA-N
Mol Weight 640.7 g/mol
Molecular Formula C39H36N4O5
Exact Mass 640.26857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAB6p7BMW5F
Name N-{2-[(S)-1-N-[(9H)-Fluoren-9-ylmethoxy)carbonyl]amino-2-methylpropyl]-4H-3,1-benzoxazin-4-ylidene}-D-tryptophan methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H36N4O5
InChI InChI=1S/C39H36N4O5/c1-23(2)35(43-39(45)47-22-31-28-15-6-4-13-26(28)27-14-5-7-16-29(27)31)37-41-33-19-11-9-17-30(33)36(48-37)42-34(38(44)46-3)20-24-21-40-32-18-10-8-12-25(24)32/h4-19,21,23,31,34-35,40H,20,22H2,1-3H3,(H,43,45)/b42-36-/t34?,35-/m0/s1
InChIKey YSMJPONBVGHQTK-VKXZVSJASA-N
Molecular Weight 640.740 g/mol
SMILES N(C(OCC1c2c(cccc2)-c2c1cccc2)=O)[C@](C=1O\C(=N/C(Cc2c[nH]c3c2cccc3)C(=O)OC)c2c(N1)cccc2)(C(C)C)[H]
SPLASH splash10-001i-0900000000-ba4c266a52c65cde1730
Source of Spectrum J-65-1026-11
Wiley ID 1532146