cyclohexyl (3S)-4-[[(1S)-2-[[(2S)-5-[[azanyl-[(4-methylphenyl)sulfonylamino]methylidene]amino]-1-[methyl-(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: cyclohexyl (3S)-4-[[(1S)-2-[[(2S)-5-[[azanyl-[(4-methylphenyl)sulfonylamino]methylidene]amino]-1-[methyl-(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: cyclohexyl (3S)-4-[[(1S)-2-[[(1S)-4-[[amino-(p-tolylsulfonylamino)methylene]amino]-1-[(2-benzyloxy-2-oxo-ethyl)-methyl-carbamoyl]butyl]amino]-2-oxo-1-phenyl-ethyl]amino]-3-(tert-butoxycarbonylamino)-4-oxo-butanoate CAS Name: (3S)-4-[[(1S)-2-[[(2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-1-[methyl-(2-oxo-2-phenylmethoxyethyl)amino]-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]amino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid cyclohexyl ester IUPAC Name: cyclohexyl (3S)-4-[[(1S)-2-[[(2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-1-[methyl-(2-oxo-2-phenylmethoxyethyl)amino]-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: (3S)-4-[[(1S)-2-[[(1S)-4-[[amino-(tosylamino)methylene]amino]-1-[(2-benzoxy-2-keto-ethyl)-methyl-carbamoyl]butyl]amino]-2-keto-1-phenyl-ethyl]amino]-3-(tert-butoxycarbonylamino)-4-keto-butyric acid cyclohexyl ester Formula: C46H61N7O11S MolecularWeight: 920.08184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(=O)N(C)CC(=O)OCC2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)NC(=O)C(CC(=O)OC4CCCCC4)NC(=O)OC(C)(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC[C@@H](C(=O)N(C)CC(=O)OCC2=CC=CC=C2)NC(=O)[C@H](C3=CC=CC=C3)NC(=O)[C@H](CC(=O)OC4CCCCC4)NC(=O)OC(C)(C)C)N

InChI

InChI=1S/C46H61N7O11S/c1-31-23-25-35(26-24-31)65(60,61)52-44(47)48-27-15-22-36(43(58)53(5)29-39(55)62-30-32-16-9-6-10-17-32)49-42(57)40(33-18-11-7-12-19-33)51-41(56)37(50-45(59)64-46(2,3)4)28-38(54)63-34-20-13-8-14-21-34/h6-7,9-12,16-19,23-26,34,36-37,40H,8,13-15,20-22,27-30H2,1-5H3,(H,49,57)(H,50,59)(H,51,56)(H3,47,48,52)/t36-,37-,40-/m0/s1