(2S)-2-azanyl-4-methylsulfanyl-5-oxidanylidene-5-[2-phenyl-4-(pyrrolidin-2-ylcarbothioylamino)phenyl]pentanoic acid

Systemtic Name: (2S)-2-azanyl-4-methylsulfanyl-5-oxidanylidene-5-[2-phenyl-4-(pyrrolidin-2-ylcarbothioylamino)phenyl]pentanoic acid Openeye Name: (2S)-2-amino-4-methylsulfanyl-5-oxo-5-[2-phenyl-4-(pyrrolidine-2-carbothioylamino)phenyl]pentanoic acid CAS Name: (2S)-2-amino-4-(methylthio)-5-oxo-5-[2-phenyl-4-[[2-pyrrolidinyl(sulfanylidene)methyl]amino]phenyl]pentanoic acid IUPAC Name: (2S)-2-amino-4-methylsulfanyl-5-oxo-5-[2-phenyl-4-(pyrrolidine-2-carbothioylamino)phenyl]pentanoic acid Traditional Name: (2S)-2-amino-5-keto-4-(methylthio)-5-[2-phenyl-4-(pyrrolidine-2-carbothioylamino)phenyl]valeric acid Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CSC(CC(C(=O)O)N)C(=O)C1=C(C=C(C=C1)NC(=S)C2CCCN2)C3=CC=CC=C3

Isomeric SMILES

CSC(C[C@@H](C(=O)O)N)C(=O)C1=C(C=C(C=C1)NC(=S)C2CCCN2)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O3S2/c1-31-20(13-18(24)23(28)29)21(27)16-10-9-15(26-22(30)19-8-5-11-25-19)12-17(16)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18-20,25H,5,8,11,13,24H2,1H3,(H,26,30)(H,28,29)/t18-,19?,20?/m0/s1