[2,3,4,5,6-pentakis(fluoranyl)phenyl] (2S)-2-[[(2S)-2-acetamido-3-[4-[5-[(2S)-3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]-2-(phenylmethoxycarbonylamino)phenoxy]phenyl]propanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: [2,3,4,5,6-pentakis(fluoranyl)phenyl] (2S)-2-[[(2S)-2-acetamido-3-[4-[5-[(2S)-3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]-2-(phenylmethoxycarbonylamino)phenoxy]phenyl]propanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: (2,3,4,5,6-pentafluorophenyl) (2S)-2-[[(2S)-2-acetamido-3-[4-[2-(benzyloxycarbonylamino)-5-[(2S)-2-(tert-butoxycarbonylamino)-3-ethoxy-3-oxo-propyl]phenoxy]phenyl]propanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(2S)-2-acetamido-3-[4-[5-[(2S)-3-ethoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]-2-(phenylmethoxycarbonylamino)phenoxy]phenyl]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid (2,3,4,5,6-pentafluorophenyl) ester IUPAC Name: (2,3,4,5,6-pentafluorophenyl) (2S)-2-[[(2S)-2-acetamido-3-[4-[5-[(2S)-3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-2-(phenylmethoxycarbonylamino)phenoxy]phenyl]propanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-[4-[2-(benzyloxycarbonylamino)-5-[(2S)-2-(tert-butoxycarbonylamino)-3-ethoxy-3-keto-propyl]phenoxy]phenyl]propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid (2,3,4,5,6-pentafluorophenyl) ester Formula: C50H49F5N4O12 MolecularWeight: 992.935676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C=C1)NC(=O)OCC2=CC=CC=C2)OC3=CC=C(C=C3)CC(C(=O)NC(CC4=CC=C(C=C4)O)C(=O)OC5=C(C(=C(C(=C5F)F)F)F)F)NC(=O)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC(=C(C=C1)NC(=O)OCC2=CC=CC=C2)OC3=CC=C(C=C3)C[C@@H](C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)OC5=C(C(=C(C(=C5F)F)F)F)F)NC(=O)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C50H49F5N4O12/c1-6-67-46(63)36(59-49(66)71-50(3,4)5)24-31-16-21-34(58-48(65)68-26-30-10-8-7-9-11-30)38(25-31)69-33-19-14-29(15-20-33)22-35(56-27(2)60)45(62)57-37(23-28-12-17-32(61)18-13-28)47(64)70-44-42(54)40(52)39(51)41(53)43(44)55/h7-21,25,35-37,61H,6,22-24,26H2,1-5H3,(H,56,60)(H,57,62)(H,58,65)(H,59,66)/t35-,36-,37-/m0/s1