(phenylmethyl) (4S)-4-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-6-oxidanylidene-6-[[(2R)-4-oxidanylidene-1-phenylmethoxy-4-[2,2,2-tris(chloranyl)ethoxy]butan-2-yl]amino]hexanoate

Systemtic Name: (phenylmethyl) (4S)-4-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-6-oxidanylidene-6-[[(2R)-4-oxidanylidene-1-phenylmethoxy-4-[2,2,2-tris(chloranyl)ethoxy]butan-2-yl]amino]hexanoate Openeye Name: benzyl (4S)-4-[[(3S)-4-benzyloxy-3-(tert-butoxycarbonylamino)-4-oxo-butanoyl]amino]-6-[[(1R)-1-(benzyloxymethyl)-3-oxo-3-(2,2,2-trichloroethoxy)propyl]amino]-6-oxo-hexanoate CAS Name: (4S)-4-[[(3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,4-dioxo-4-phenylmethoxybutyl]amino]-6-oxo-6-[[(2R)-4-oxo-1-phenylmethoxy-4-(2,2,2-trichloroethoxy)butan-2-yl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoyl]amino]-6-oxo-6-[[(2R)-4-oxo-1-phenylmethoxy-4-(2,2,2-trichloroethoxy)butan-2-yl]amino]hexanoate Traditional Name: (4S)-4-[[(3S)-4-benzoxy-3-(tert-butoxycarbonylamino)-4-keto-butanoyl]amino]-6-[[(1R)-1-(benzoxymethyl)-3-keto-3-(2,2,2-trichloroethoxy)propyl]amino]-6-keto-hexanoic acid benzyl ester Formula: C42H50Cl3N3O11 MolecularWeight: 879.2189

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)NC(CCC(=O)OCC1=CC=CC=C1)CC(=O)NC(CC(=O)OCC(Cl)(Cl)Cl)COCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)CC(=O)N[C@H](CC(=O)OCC(Cl)(Cl)Cl)COCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C42H50Cl3N3O11/c1-41(2,3)59-40(54)48-34(39(53)57-26-31-17-11-6-12-18-31)23-36(50)46-32(19-20-37(51)56-25-30-15-9-5-10-16-30)21-35(49)47-33(22-38(52)58-28-42(43,44)45)27-55-24-29-13-7-4-8-14-29/h4-18,32-34H,19-28H2,1-3H3,(H,46,50)(H,47,49)(H,48,54)/t32-,33+,34-/m0/s1