tert-butyl (4R)-5-[[(2S)-1-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-4-[[(2R,3R)-2-[[(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl (4R)-5-[[(2S)-1-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-4-[[(2R,3R)-2-[[(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl (4R)-4-[[(2R,3R)-3-tert-butoxy-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(3-methylimidazol-4-yl)propanoyl]amino]butanoyl]amino]-5-[[(1S)-1-[[(1S)-2-methoxy-1-methyl-2-oxo-ethyl]carbamoyl]-3-phenyl-propyl]amino]-5-oxo-pentanoate CAS Name: (4R)-5-[[(2S)-1-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-4-[[(2R,3R)-2-[[(2S)-3-(3-methyl-4-imidazolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutyl]amino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4R)-5-[[(2S)-1-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-4-[[(2R,3R)-2-[[(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-5-oxopentanoate Traditional Name: (4R)-4-[[(2R,3R)-3-tert-butoxy-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(3-methylimidazol-4-yl)propanoyl]amino]butanoyl]amino]-5-keto-5-[[(1S)-1-[[(1S)-2-keto-2-methoxy-1-methyl-ethyl]carbamoyl]-3-phenyl-propyl]amino]valeric acid tert-butyl ester Formula: C43H67N7O11 MolecularWeight: 858.03238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CCC1=CC=CC=C1)C(=O)NC(C)C(=O)OC)NC(=O)C(CC2=CN=CN2C)NC(=O)OC(C)(C)C)OC(C)(C)C

Isomeric SMILES

C[C@H]([C@H](C(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)OC)NC(=O)[C@H](CC2=CN=CN2C)NC(=O)OC(C)(C)C)OC(C)(C)C

InChI

InChI=1S/C43H67N7O11/c1-26(39(56)58-13)45-35(52)30(20-19-28-17-15-14-16-18-28)46-36(53)31(21-22-33(51)60-42(6,7)8)47-38(55)34(27(2)59-41(3,4)5)49-37(54)32(23-29-24-44-25-50(29)12)48-40(57)61-43(9,10)11/h14-18,24-27,30-32,34H,19-23H2,1-13H3,(H,45,52)(H,46,53)(H,47,55)(H,48,57)(H,49,54)/t26-,27+,30-,31+,32-,34+/m0/s1