cyclopentane; (2R)-2-[4-methoxy-3-[3-methoxy-5-[(1S)-1-[[(2R)-3-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-(methylamino)-2-oxidanylidene-ethyl]phenoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid; ruthenium(2+); hexafluorophosphate

Systemtic Name: cyclopentane; (2R)-2-[4-methoxy-3-[3-methoxy-5-[(1S)-1-[[(2R)-3-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-(methylamino)-2-oxidanylidene-ethyl]phenoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid; ruthenium(2+); hexafluorophosphate Openeye Name: (2R)-2-[3-[3-[(1S)-1-[[(2R)-2-(benzyloxycarbonylamino)-3-(4-methoxyphenyl)propanoyl]amino]-2-(methylamino)-2-oxo-ethyl]-5-methoxy-phenoxy]-4-methoxy-phenyl]-2-(tert-butoxycarbonylamino)acetic acid; cyclopentane; ruthenium(2+); hexafluorophosphate CAS Name: cyclopentane; (2R)-2-[4-methoxy-3-[3-methoxy-5-[(1S)-1-[[(2R)-3-(4-methoxyphenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-2-(methylamino)-2-oxoethyl]phenoxy]phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid; ruthenium(2+); hexafluorophosphate IUPAC Name: cyclopentane; (2R)-2-[4-methoxy-3-[3-methoxy-5-[(1S)-1-[[(2R)-3-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-(methylamino)-2-oxoethyl]phenoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid; ruthenium(2+); hexafluorophosphate Traditional Name: (2R)-2-[3-[3-[(1S)-1-[[(2R)-2-(benzyloxycarbonylamino)-3-(4-methoxyphenyl)propanoyl]amino]-2-keto-2-(methylamino)ethyl]-5-methoxy-phenoxy]-4-methoxy-phenyl]-2-(tert-butoxycarbonylamino)acetic acid; cyclopentane; ruthenium(2+); hexafluorophosphate Formula: C47H53F6N4O12PRu+ MolecularWeight: 1111.9775

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC(=C(C=C1)OC)OC2=CC(=CC(=C2)C(C(=O)NC)NC(=O)C(CC3=CC=C(C=C3)OC)NC(=O)OCC4=CC=CC=C4)OC)C(=O)O.[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](C1=CC(=C(C=C1)OC)OC2=CC(=CC(=C2)[C@@H](C(=O)NC)NC(=O)[C@@H](CC3=CC=C(C=C3)OC)NC(=O)OCC4=CC=CC=C4)OC)C(=O)O.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Ru+2]

InChI

InChI=1S/C42H48N4O12.C5H5.F6P.Ru/c1-42(2,3)58-41(52)46-36(39(49)50)27-15-18-33(55-7)34(22-27)57-31-21-28(20-30(23-31)54-6)35(38(48)43-4)45-37(47)32(19-25-13-16-29(53-5)17-14-25)44-40(51)56-24-26-11-9-8-10-12-26;1-2-4-5-3-1;1-7(2,3,4,5)6;/h8-18,20-23,32,35-36H,19,24H2,1-7H3,(H,43,48)(H,44,51)(H,45,47)(H,46,52)(H,49,50);1-5H;;/q;;-1;+2/t32-,35+,36-;;;/m1.../s1