cyclopentane; methyl (2S)-2-[[(2S)-4-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoyl]amino]-3-(4-chlorophenyl)propanoate; ruthenium(2+); hexafluorophosphate

Systemtic Name: cyclopentane; methyl (2S)-2-[[(2S)-4-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoyl]amino]-3-(4-chlorophenyl)propanoate; ruthenium(2+); hexafluorophosphate Openeye Name: cyclopentane; methyl (2S)-2-[[(2S)-4-amino-2-(tert-butoxycarbonylamino)-4-oxo-butanoyl]amino]-3-(4-chlorophenyl)propanoate; ruthenium(2+); hexafluorophosphate CAS Name: (2S)-2-[[(2S)-4-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,4-dioxobutyl]amino]-3-(4-chlorophenyl)propanoic acid methyl ester; cyclopentane; ruthenium(2+); hexafluorophosphate IUPAC Name: cyclopentane; methyl (2S)-2-[[(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]amino]-3-(4-chlorophenyl)propanoate; ruthenium(2+); hexafluorophosphate Traditional Name: (2S)-2-[[(2S)-4-amino-2-(tert-butoxycarbonylamino)-4-keto-butanoyl]amino]-3-(4-chlorophenyl)propionic acid methyl ester; cyclopentane; ruthenium(2+); hexafluorophosphate Formula: C24H31ClF6N3O6PRu+ MolecularWeight: 739.00662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)Cl)C(=O)OC.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Ru+2]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)OC.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Ru+2]

InChI

InChI=1S/C19H26ClN3O6.C5H5.F6P.Ru/c1-19(2,3)29-18(27)23-13(10-15(21)24)16(25)22-14(17(26)28-4)9-11-5-7-12(20)8-6-11;1-2-4-5-3-1;1-7(2,3,4,5)6;/h5-8,13-14H,9-10H2,1-4H3,(H2,21,24)(H,22,25)(H,23,27);1-5H;;/q;;-1;+2/t13-,14-;;;/m0.../s1