2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-5-(sulfanylcarbonylamino)pentanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-5-(sulfanylcarbonylamino)pentanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-(2-phenylbenzoyl)-5-(sulfanylcarbonylamino)pentanoic acid CAS Name: 2-amino-5-[[mercapto(oxo)methyl]amino]-4-(methylthio)-2-[oxo-(2-phenylphenyl)methyl]pentanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-(2-phenylbenzoyl)-5-(sulfanylcarbonylamino)pentanoic acid Traditional Name: 2-amino-4-(methylthio)-2-(2-phenylbenzoyl)-5-(thiocarboxyamino)valeric acid Formula: C20H22N2O4S2 MolecularWeight: 418.52968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)CNC(=O)S

Isomeric SMILES

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)CNC(=O)S

InChI

InChI=1S/C20H22N2O4S2/c1-28-14(12-22-19(26)27)11-20(21,18(24)25)17(23)16-10-6-5-9-15(16)13-7-3-2-4-8-13/h2-10,14H,11-12,21H2,1H3,(H,24,25)(H2,22,26,27)