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2-[Bis(methoxycarbonyl)methyl]-3-[2(S)-(methoxycarbonyl)-2-[N(b)-tert-(butoxycarbonyl)-N(b)-benzylamino]ethyl]indole
SpectraBase Compound ID 6shao9tPTRB
InChI InChI=1S/C29H34N2O8/c1-29(2,3)39-28(35)31(17-18-12-8-7-9-13-18)22(25(32)36-4)16-20-19-14-10-11-15-21(19)30-24(20)23(26(33)37-5)27(34)38-6/h7-15,22-23,30H,16-17H2,1-6H3/t22-/m0/s1
InChIKey SQFCXKCVZAQKDU-QFIPXVFZSA-N
Mol Weight 538.6 g/mol
Molecular Formula C29H34N2O8
Exact Mass 538.231516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHUNBaBXCow
Name 2-[Bis(methoxycarbonyl)methyl]-3-[2(S)-(methoxycarbonyl)-2-[N(b)-tert-(butoxycarbonyl)-N(b)-benzylamino]ethyl]indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H34N2O8
InChI InChI=1S/C29H34N2O8/c1-29(2,3)39-28(35)31(17-18-12-8-7-9-13-18)22(25(32)36-4)16-20-19-14-10-11-15-21(19)30-24(20)23(26(33)37-5)27(34)38-6/h7-15,22-23,30H,16-17H2,1-6H3/t22-/m0/s1
InChIKey SQFCXKCVZAQKDU-QFIPXVFZSA-N
Molecular Weight 538.597 g/mol
SMILES [nH]1c2ccccc2c(c1C(C(=O)OC)C(=O)OC)C[C@](N(C(OC(C)(C)C)=O)Cc1ccccc1)(C(=O)OC)[H]
SPLASH splash10-03di-2190000000-a6ab8721ad84e0adafcf
Source of Spectrum J-63-9429-0
Synonyms Dimethyl 2-(3-{(2S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1H-indol-2-yl)malonate 2-[3-[(2S)-3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]-3-oxopropyl]-1H-indol-2-yl]propanedioic acid dimethyl ester Dimethyl 2-[3-[(2S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methoxy-3-oxopropyl]-1H-indol-2-yl]propanedioate Dimethyl 2-[3-[(2S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-methoxy-3-oxo-propyl]-1H-indol-2-yl]propanedioate Dimethyl 2-[3-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-3-oxidanylidene-propyl]-1H-indol-2-yl]propanedioate
Wiley ID 1404329