methyl 6-[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]ethanoylamino]-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: methyl 6-[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]ethanoylamino]-2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-6-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]acetyl]amino]hexanoate CAS Name: 6-[[2-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]-1-oxoethyl]amino]-2-(phenylmethoxycarbonylamino)hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]acetyl]amino]-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 2-(benzyloxycarbonylamino)-6-[[2-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]acetyl]amino]hexanoic acid methyl ester Formula: C33H35FN6O6S MolecularWeight: 662.731003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC(=O)CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN=CN=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CCCCNC(=O)CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN=CN=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H35FN6O6S/c1-45-31(43)28(38-33(44)46-20-23-7-3-2-4-8-23)9-5-6-14-37-29(41)19-40-18-26(15-25-16-35-22-36-17-25)30(42)39-32(40)47-21-24-10-12-27(34)13-11-24/h2-4,7-8,10-13,16-18,22,28H,5-6,9,14-15,19-21H2,1H3,(H,37,41)(H,38,44)