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(4S,5S,R)-4-tercbutoxycarbonyl-5-(N-benzyl-N-methylbenzylamino)-5-(3-pyridyl) pentanoic acid
SpectraBase Compound ID BtNNf1jjPfZ
InChI InChI=1S/C30H36N2O4/c1-22(24-14-9-6-10-15-24)32(21-23-12-7-5-8-13-23)28(25-16-11-19-31-20-25)26(17-18-27(33)34)29(35)36-30(2,3)4/h5-16,19-20,22,26,28H,17-18,21H2,1-4H3,(H,33,34)/t22-,26+,28-/m1/s1
InChIKey ANCAHRWLYCDORG-AEAGWUPHSA-N
Mol Weight 488.6 g/mol
Molecular Formula C30H36N2O4
Exact Mass 488.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8oRGo5kZRbt
Name (4S,5S,R)-4-tercbutoxycarbonyl-5-(N-benzyl-N-methylbenzylamino)-5-(3-pyridyl) pentanoic acid
Alternate Name(s) (4S,5S)-5-(benzyl((R)-1-phenylethyl)amino)-4-(tert-butoxycarbonyl)-5-(pyridin-3-yl)pentanoic acid (4S,5S)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]-5-(3-pyridinyl)pentanoic acid (4S)-4-[(S)-[benzyl-[(1R)-1-phenylethyl]amino]-pyridin-3-ylmethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (4S)-4-[(S)-[benzyl-[(1R)-1-phenylethyl]amino]-(3-pyridyl)methyl]-5-tert-butoxy-5-oxo-pentanoic acid (4S,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]-5-pyridin-3-yl-pentanoic acid
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Formula C30H36N2O4
InChI InChI=1S/C30H36N2O4/c1-22(24-14-9-6-10-15-24)32(21-23-12-7-5-8-13-23)28(25-16-11-19-31-20-25)26(17-18-27(33)34)29(35)36-30(2,3)4/h5-16,19-20,22,26,28H,17-18,21H2,1-4H3,(H,33,34)/t22-,26+,28-/m1/s1
InChIKey ANCAHRWLYCDORG-AEAGWUPHSA-N
Literature Reference DOI 10.1021/ol8001464
Molecular Weight 488.628 g/mol
SMILES OC(CC[C@@]([C@@](c1cccnc1)(N([C@](C)(c1ccccc1)[H])Cc1ccccc1)[H])(C(=O)OC(C)(C)C)[H])=O
SPLASH splash10-0pbc-5903000000-f00f23a104b6804c2cf4
Source of Spectrum A1-10-1687/SMS5-4d
Wiley ID 1759273