[(2R,3S,5R)-5-[5-[(E)-2-bromanylethenyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: [(2R,3S,5R)-5-[5-[(E)-2-bromanylethenyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: [(2R,3S,5R)-5-[5-[(E)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-2-(hydroxymethyl)tetrahydrofuran-3-yl] (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid [(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxo-1-pyrimidinyl]-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid [(2R,3S,5R)-5-[5-[(E)-2-bromovinyl]-2,4-diketo-pyrimidin-1-yl]-2-methylol-tetrahydrofuran-3-yl] ester Formula: C25H30BrN3O8 MolecularWeight: 580.425

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)OC2CC(OC2CO)N3C=C(C(=O)NC3=O)C=CBr

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O[C@H]2C[C@@H](O[C@@H]2CO)N3C=C(C(=O)NC3=O)/C=C/Br

InChI

InChI=1S/C25H30BrN3O8/c1-25(2,3)37-24(34)27-17(11-15-7-5-4-6-8-15)22(32)36-18-12-20(35-19(18)14-30)29-13-16(9-10-26)21(31)28-23(29)33/h4-10,13,17-20,30H,11-12,14H2,1-3H3,(H,27,34)(H,28,31,33)/b10-9+/t17-,18-,19+,20+/m0/s1