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2-[(3R,4R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(1H-indol-3-yl)-2-keto-piperidino]acetic acid
SpectraBase Compound ID 5OGrSNp8WkX
InChI InChI=1S/C30H27N3O5/c34-27(35)16-33-14-13-23(24-15-31-26-12-6-5-11-22(24)26)28(29(33)36)32-30(37)38-17-25-20-9-3-1-7-18(20)19-8-2-4-10-21(19)25/h1-12,15,23,25,28,31H,13-14,16-17H2,(H,32,37)(H,34,35)/t23-,28-/m1/s1
InChIKey IGEIIEJFBBYWGF-QDPGVEIFSA-N
Mol Weight 509.56 g/mol
Molecular Formula C30H27N3O5
Exact Mass 509.195071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GN8Cwh7SZh3
Name 2-[(3R,4R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(1H-indol-3-yl)-2-keto-piperidino]acetic acid
Alternate Name(s) 2-[(3R,4R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(1H-indol-3-yl)-2-oxidanylidene-piperidin-1-yl]ethanoic acid 2-[(3R,4R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(1H-indol-3-yl)-2-oxo-1-piperidyl]acetic acid 2-[(3R,4R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(1H-indol-3-yl)-2-oxopiperidin-1-yl]acetic acid 2-[(3R,4R)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-(1H-indol-3-yl)-2-oxo-1-piperidinyl]acetic acid
Comments Less than 3 mono-isotopic peaks
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Formula C30H27N3O5
InChI InChI=1S/C30H27N3O5/c34-27(35)16-33-14-13-23(24-15-31-26-12-6-5-11-22(24)26)28(29(33)36)32-30(37)38-17-25-20-9-3-1-7-18(20)19-8-2-4-10-21(19)25/h1-12,15,23,25,28,31H,13-14,16-17H2,(H,32,37)(H,34,35)/t23-,28-/m1/s1
InChIKey IGEIIEJFBBYWGF-QDPGVEIFSA-N
Molecular Weight 509.562 g/mol
SMILES OC(CN1C([C@@]([C@@](c2c[nH]c3c2cccc3)(CC1)[H])(NC(OCC1c2c(cccc2)-c2c1cccc2)=O)[H])=O)=O
SPLASH splash10-004i-0900000000-671d21b8d837c957d5e1
Source of Spectrum F-68-9552-14
Wiley ID 1573866