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1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoyl]ethylenimine-2,3-dicarboxylic acid diethyl ester
SpectraBase Compound ID FiFWY2xX3Ae
InChI InChI=1S/C29H34N2O7/c1-5-36-27(33)24-25(28(34)37-6-2)31(24)26(32)23(15-17(3)4)30-29(35)38-16-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,17,22-25H,5-6,15-16H2,1-4H3,(H,30,35)/t23-,24?,25?,31?/m0/s1
InChIKey XFGIAKJPXFCUCG-QIQNTIGOSA-N
Mol Weight 522.6 g/mol
Molecular Formula C29H34N2O7
Exact Mass 522.236601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HnGErVjl5p
Name 1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoyl]ethylenimine-2,3-dicarboxylic acid diethyl ester
Alternate Name(s) 1-[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-methyl-1-oxopentyl]aziridine-2,3-dicarboxylic acid diethyl ester diethyl 1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoyl]aziridine-2,3-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C29H34N2O7
InChI InChI=1S/C29H34N2O7/c1-5-36-27(33)24-25(28(34)37-6-2)31(24)26(32)23(15-17(3)4)30-29(35)38-16-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,17,22-25H,5-6,15-16H2,1-4H3,(H,30,35)/t23-,24?,25?,31?/m0/s1
InChIKey XFGIAKJPXFCUCG-QIQNTIGOSA-N
Molecular Weight 522.598 g/mol
SMILES N(C(OCC1c2c(cccc2)-c2c1cccc2)=O)[C@](C(N1C(C(=O)OCC)C1C(=O)OCC)=O)(CC(C)C)[H]
SPLASH splash10-004i-0900010000-84e68d67dfb6119ed2b1
Source of Spectrum F2-42-568-20
Wiley ID 1600031