(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-5,5,5-tris(fluoranyl)pentanamide

Systemtic Name: (2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-5,5,5-tris(fluoranyl)pentanamide Openeye Name: (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[[(1S)-1-benzyl-2-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]-5,5,5-trifluoro-pentanamide CAS Name: (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-5,5,5-trifluoropentanamide IUPAC Name: (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-5,5,5-trifluoropentanamide Traditional Name: (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[[(1S)-1-benzyl-2-[[(1S)-1-carbamoyl-3-(methylthio)propyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]-5,5,5-trifluoro-valeramide Formula: C30H39F3N6O6S MolecularWeight: 668.72747

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(CCC(F)(F)F)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CSCC[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](CCC(F)(F)F)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C30H39F3N6O6S/c1-46-14-12-22(26(35)42)38-29(45)24(16-18-5-3-2-4-6-18)37-25(41)17-36-28(44)23(11-13-30(31,32)33)39-27(43)21(34)15-19-7-9-20(40)10-8-19/h2-10,21-24,40H,11-17,34H2,1H3,(H2,35,42)(H,36,44)(H,37,41)(H,38,45)(H,39,43)/t21-,22-,23+,24-/m0/s1