methyl (2S)-2-azanyl-4-methylsulfanyl-5-oxidanylidene-5-[2-phenyl-3-(pyrimidin-2-yloxycarbonylamino)phenyl]pentanoate

Systemtic Name: methyl (2S)-2-azanyl-4-methylsulfanyl-5-oxidanylidene-5-[2-phenyl-3-(pyrimidin-2-yloxycarbonylamino)phenyl]pentanoate Openeye Name: methyl (2S)-2-amino-4-methylsulfanyl-5-oxo-5-[2-phenyl-3-(pyrimidin-2-yloxycarbonylamino)phenyl]pentanoate CAS Name: (2S)-2-amino-4-(methylthio)-5-oxo-5-[3-[[oxo(2-pyrimidinyloxy)methyl]amino]-2-phenylphenyl]pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-4-methylsulfanyl-5-oxo-5-[2-phenyl-3-(pyrimidin-2-yloxycarbonylamino)phenyl]pentanoate Traditional Name: (2S)-2-amino-5-keto-4-(methylthio)-5-[2-phenyl-3-(2-pyrimidyloxycarbonylamino)phenyl]valeric acid methyl ester Formula: C24H24N4O5S MolecularWeight: 480.53616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(C(=O)C1=C(C(=CC=C1)NC(=O)OC2=NC=CC=N2)C3=CC=CC=C3)SC)N

Isomeric SMILES

COC(=O)[C@H](CC(C(=O)C1=C(C(=CC=C1)NC(=O)OC2=NC=CC=N2)C3=CC=CC=C3)SC)N

InChI

InChI=1S/C24H24N4O5S/c1-32-22(30)17(25)14-19(34-2)21(29)16-10-6-11-18(20(16)15-8-4-3-5-9-15)28-24(31)33-23-26-12-7-13-27-23/h3-13,17,19H,14,25H2,1-2H3,(H,28,31)/t17-,19?/m0/s1