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(2S,3R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoyl]amino]-3-hydroxy-3-phenyl-propionic acid methyl ester
SpectraBase Compound ID GiBLoj3Idb1
InChI InChI=1S/C31H34N2O6/c1-19(2)17-26(29(35)33-27(30(36)38-3)28(34)20-11-5-4-6-12-20)32-31(37)39-18-25-23-15-9-7-13-21(23)22-14-8-10-16-24(22)25/h4-16,19,25-28,34H,17-18H2,1-3H3,(H,32,37)(H,33,35)/t26-,27-,28+/m0/s1
InChIKey AVYDZLQSCPKJHI-HZFUHODCSA-N
Mol Weight 530.6 g/mol
Molecular Formula C31H34N2O6
Exact Mass 530.241687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6SpEh6xJB0
Name (2S,3R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoyl]amino]-3-hydroxy-3-phenyl-propionic acid methyl ester
Alternate Name(s) (2S,3R)-2-[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-3-phenylpropanoic acid methyl ester Methyl (2S,3R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoyl]amino]-3-oxidanyl-3-phenyl-propanoate Methyl (2S,3R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]-3-hydroxy-3-phenylpropanoate
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Formula C31H34N2O6
InChI InChI=1S/C31H34N2O6/c1-19(2)17-26(29(35)33-27(30(36)38-3)28(34)20-11-5-4-6-12-20)32-31(37)39-18-25-23-15-9-7-13-21(23)22-14-8-10-16-24(22)25/h4-16,19,25-28,34H,17-18H2,1-3H3,(H,32,37)(H,33,35)/t26-,27-,28+/m0/s1
InChIKey AVYDZLQSCPKJHI-HZFUHODCSA-N
Molecular Weight 530.621 g/mol
SMILES N([C@@]([C@@](c1ccccc1)(O)[H])(C(=O)OC)[H])C([C@@](NC(OCC1c2c(cccc2)-c2c1cccc2)=O)(CC(C)C)[H])=O
SPLASH splash10-004j-0900000000-8a6a1e4f09995d2b60f5
Source of Spectrum K1-2000-2493-14
Wiley ID 750055