Molecules/Sofosbuvir; velpatasvir

Sofosbuvir; velpatasvir

methyl N-[(1R)-2-[(2S,4S)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

C71H83FN11O17P1412.50 g/molCID 91885554

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Molecular Identity

Sofosbuvir; velpatasvir

PubChem CID: 91885554

2D Structure

Properties

C₇₁H₈₃FN₁₁O₁₇P

Molecular Formula

1412.50

Molecular Weight

g/mol

1411.5690

Exact Mass

346

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

2600

Complexity

SMILES

Canonical SMILES

SMILES: CC1CCC(N1C(=O)C(C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)C8CC(CN8C(=O)C(C9=CC=CC=C9)NC(=O)OC)COC.CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3

Isomeric SMILES

SMILES: C[C@H]1CC[C@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)[C@@H]8C[C@@H](CN8C(=O)[C@@H](C9=CC=CC=C9)NC(=O)OC)COC.C[C@@H](C(=O)OC(C)C)N[P@@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3

Synonyms(18)

Sofosbuvir / velpatasvirVelpatasvir / SofosbuvirEpclusa AccessSofosbuvir/velpatasvirVelpatasvir/SofosbuvirSofosbuvir; velpatasvirRefChem:64869Velpatasvir and SofosbuvirSOFOSBUVIR;VELPATASVIRVELPATASVIR;SOFOSBUVIRsofosbuvir & velpatasvirsofosbuvir + velpatasvirEpclusaEpclusa TabletSofosbuvir and velpatasvir

Data from PubChem (NCBI)

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Molecular Structure

Sofosbuvir; velpatasvir

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Source: PubChem

Drug Network

Trials and conditions connected to Sofosbuvir; velpatasvir

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