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N-Fluorenyl-9-yl-methyloxycarbonyl-L-leucyl-L-valyl-4R-hydroxy-L-proline methyl ester
SpectraBase Compound ID 9O77TVcxdE3
InChI InChI=1S/C32H41N3O7/c1-18(2)14-26(29(37)34-28(19(3)4)30(38)35-16-20(36)15-27(35)31(39)41-5)33-32(40)42-17-25-23-12-8-6-10-21(23)22-11-7-9-13-24(22)25/h6-13,18-20,25-28,36H,14-17H2,1-5H3,(H,33,40)(H,34,37)/t20-,26+,27+,28+/m1/s1
InChIKey ZLIINZHXXBGYMV-DLMOMKDTSA-N
Mol Weight 579.7 g/mol
Molecular Formula C32H41N3O7
Exact Mass 579.294451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nfbv4tlDVz
Name N-Fluorenyl-9-yl-methyloxycarbonyl-L-leucyl-L-valyl-4R-hydroxy-L-proline methyl ester
Appearance White foam
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Formula C32H41N3O7
InChI InChI=1S/C32H41N3O7/c1-18(2)14-26(29(37)34-28(19(3)4)30(38)35-16-20(36)15-27(35)31(39)41-5)33-32(40)42-17-25-23-12-8-6-10-21(23)22-11-7-9-13-24(22)25/h6-13,18-20,25-28,36H,14-17H2,1-5H3,(H,33,40)(H,34,37)/t20-,26+,27+,28+/m1/s1
InChIKey ZLIINZHXXBGYMV-DLMOMKDTSA-N
Ionization Type EI
Molecular Weight 579.694 g/mol
Optical Rotation [a]D = -78.60 (c = 0.16, CHCl3)
Reported Formula C32H41N3O7
SMILES N([C@](C(N[C@](C(N1C[C@@](C[C@]1(C(OC)=O)[H])(O)[H])=O)(C(C)C)[H])=O)(CC(C)C)[H])C(=O)OCC1c2c(-c3c1cccc3)cccc2
SPLASH splash10-004i-0920000000-fcaaa920abeba01014c3
Source of Spectrum WO2014125145A1
Wiley ID 1850079