(2S,3S)-N-[(2S)-1-azanyl-5-(2-methylsulfanylethanoylamino)-1-oxidanylidene-pentan-2-yl]-3-[[2,4-bis(fluoranyl)phenyl]carbamoylamino]-1-(2-methylsulfanylethanoyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S,3S)-N-[(2S)-1-azanyl-5-(2-methylsulfanylethanoylamino)-1-oxidanylidene-pentan-2-yl]-3-[[2,4-bis(fluoranyl)phenyl]carbamoylamino]-1-(2-methylsulfanylethanoyl)pyrrolidine-2-carboxamide Openeye Name: (2S,3S)-N-[(1S)-1-carbamoyl-4-[(2-methylsulfanylacetyl)amino]butyl]-3-[(2,4-difluorophenyl)carbamoylamino]-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxamide CAS Name: (2S,3S)-N-[(2S)-1-amino-5-[[2-(methylthio)-1-oxoethyl]amino]-1-oxopentan-2-yl]-3-[[(2,4-difluoroanilino)-oxomethyl]amino]-1-[2-(methylthio)-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S,3S)-N-[(2S)-1-amino-5-[(2-methylsulfanylacetyl)amino]-1-oxopentan-2-yl]-3-[(2,4-difluorophenyl)carbamoylamino]-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxamide Traditional Name: (2S,3S)-N-[(1S)-1-carbamoyl-4-[[2-(methylthio)acetyl]amino]butyl]-3-[(2,4-difluorophenyl)carbamoylamino]-1-[2-(methylthio)acetyl]pyrrolidine-2-carboxamide Formula: C23H32F2N6O5S2 MolecularWeight: 574.664186

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NCCCC(C(=O)N)NC(=O)C1C(CCN1C(=O)CSC)NC(=O)NC2=C(C=C(C=C2)F)F

Isomeric SMILES

CSCC(=O)NCCC[C@@H](C(=O)N)NC(=O)[C@@H]1[C@H](CCN1C(=O)CSC)NC(=O)NC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C23H32F2N6O5S2/c1-37-11-18(32)27-8-3-4-17(21(26)34)28-22(35)20-16(7-9-31(20)19(33)12-38-2)30-23(36)29-15-6-5-13(24)10-14(15)25/h5-6,10,16-17,20H,3-4,7-9,11-12H2,1-2H3,(H2,26,34)(H,27,32)(H,28,35)(H2,29,30,36)/t16-,17-,20-/m0/s1