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(2S)-2-(benzyloxycarbonylamino)-2-[(1S,4R)-4-(2,4-diketopyrimidin-1-yl)cyclopent-2-en-1-yl]acetic acid benzyl ester
SpectraBase Compound ID KQAme3RMPyN
InChI InChI=1S/C26H25N3O6/c30-22-13-14-29(25(32)27-22)21-12-11-20(15-21)23(24(31)34-16-18-7-3-1-4-8-18)28-26(33)35-17-19-9-5-2-6-10-19/h1-14,20-21,23H,15-17H2,(H,28,33)(H,27,30,32)/t20-,21+,23+/m1/s1
InChIKey FARKHIKNWULPBT-GIWBLDEGSA-N
Mol Weight 475.5 g/mol
Molecular Formula C26H25N3O6
Exact Mass 475.174336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Lmli8GOp6
Name (2S)-2-(benzyloxycarbonylamino)-2-[(1S,4R)-4-(2,4-diketopyrimidin-1-yl)cyclopent-2-en-1-yl]acetic acid benzyl ester
Alternate Name(s) (2S)-2-[(1S,4R)-4-(2,4-dioxo-1-pyrimidinyl)-1-cyclopent-2-enyl]-2-(phenylmethoxycarbonylamino)acetic acid (phenylmethyl) ester (phenylmethyl) (2S)-2-[(1S,4R)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]cyclopent-2-en-1-yl]-2-(phenylmethoxycarbonylamino)ethanoate benzyl (2S)-2-(benzyloxycarbonylamino)-2-[(1S,4R)-4-(2,4-dioxopyrimidin-1-yl)cyclopent-2-en-1-yl]acetate benzyl (2S)-2-[(1S,4R)-4-(2,4-dioxopyrimidin-1-yl)cyclopent-2-en-1-yl]-2-(phenylmethoxycarbonylamino)acetate
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Formula C26H25N3O6
InChI InChI=1S/C26H25N3O6/c30-22-13-14-29(25(32)27-22)21-12-11-20(15-21)23(24(31)34-16-18-7-3-1-4-8-18)28-26(33)35-17-19-9-5-2-6-10-19/h1-14,20-21,23H,15-17H2,(H,28,33)(H,27,30,32)/t20-,21+,23+/m1/s1
InChIKey FARKHIKNWULPBT-GIWBLDEGSA-N
Molecular Weight 475.501 g/mol
SMILES N1C(C=CN([C@@]2(C[C@]([C@@](C(OCc3ccccc3)=O)(NC(=O)OCc3ccccc3)[H])(C=C2)[H])[H])C1=O)=O
SPLASH splash10-01r6-6900100000-aab1eaef1c86b55788f5
Source of Spectrum KC-0-2535-12
Wiley ID 823182