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

Systemtic Name: (2S)-2-azanyl-4-methylsulfanyl-5-oxidanylidene-5-[2-phenyl-3-(pyrimidin-2-yloxycarbonylamino)phenyl]pentanoic acid Openeye Name: (2S)-2-amino-4-methylsulfanyl-5-oxo-5-[2-phenyl-3-(pyrimidin-2-yloxycarbonylamino)phenyl]pentanoic acid CAS Name: (2S)-2-amino-4-(methylthio)-5-oxo-5-[3-[[oxo(2-pyrimidinyloxy)methyl]amino]-2-phenylphenyl]pentanoic acid IUPAC Name: (2S)-2-amino-4-methylsulfanyl-5-oxo-5-[2-phenyl-3-(pyrimidin-2-yloxycarbonylamino)phenyl]pentanoic acid Traditional Name: (2S)-2-amino-5-keto-4-(methylthio)-5-[2-phenyl-3-(2-pyrimidyloxycarbonylamino)phenyl]valeric acid Formula: C23H22N4O5S MolecularWeight: 466.50958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O5S/c1-33-18(13-16(24)21(29)30)20(28)15-9-5-10-17(19(15)14-7-3-2-4-8-14)27-23(31)32-22-25-11-6-12-26-22/h2-12,16,18H,13,24H2,1H3,(H,27,31)(H,29,30)/t16-,18?/m0/s1