methyl (2S)-2-[[(2S)-3-cyclohexyl-2-[[1-[[(2R)-1-[(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]cyclooctyl]carbonylamino]propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-3-cyclohexyl-2-[[1-[[(2R)-1-[(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]cyclooctyl]carbonylamino]propanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[1-[[(2R)-1-[(2S)-2-(tert-butoxycarbonylamino)-3-(3-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]amino]cyclooctanecarbonyl]amino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-3-cyclohexyl-2-[[[1-[[[(2R)-1-[(2S)-3-(3-methyl-4-imidazolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]cyclooctyl]-oxomethyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-3-cyclohexyl-2-[[1-[[(2R)-1-[(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]cyclooctanecarbonyl]amino]propanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-[[1-[[(2R)-1-[(2S)-2-(tert-butoxycarbonylamino)-3-(3-methylimidazol-4-yl)propanoyl]prolyl]amino]cyclooctanecarbonyl]amino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C45H67N7O8 MolecularWeight: 834.05558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN=CN1C)C(=O)N2CCCC2C(=O)NC3(CCCCCCC3)C(=O)NC(CC4CCCCC4)C(=O)NC(CC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1C)C(=O)N2CCC[C@@H]2C(=O)NC3(CCCCCCC3)C(=O)N[C@@H](CC4CCCCC4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C45H67N7O8/c1-44(2,3)60-43(58)49-35(28-33-29-46-30-51(33)4)40(55)52-25-17-22-37(52)39(54)50-45(23-15-7-6-8-16-24-45)42(57)48-34(26-31-18-11-9-12-19-31)38(53)47-36(41(56)59-5)27-32-20-13-10-14-21-32/h10,13-14,20-21,29-31,34-37H,6-9,11-12,15-19,22-28H2,1-5H3,(H,47,53)(H,48,57)(H,49,58)(H,50,54)/t34-,35-,36-,37+/m0/s1