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

Systemtic Name: tert-butyl (4R)-5-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoyl]amino]pentanoyl]amino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl (4R)-4-[[(2S)-2-[[(2S)-4-tert-butoxy-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(3-methylimidazol-4-yl)propanoyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[(1S)-2-methoxy-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: (4R)-5-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-4-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-(3-methyl-4-imidazolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutyl]amino]-1-oxopentyl]amino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4R)-5-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-4-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]pentanoyl]amino]-5-oxopentanoate Traditional Name: (4R)-4-[[(2S)-2-[[(2S)-4-tert-butoxy-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(3-methylimidazol-4-yl)propanoyl]amino]-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-keto-5-[[(1S)-2-keto-2-methoxy-1-methyl-ethyl]amino]valeric acid tert-butyl ester Formula: C39H65N7O12 MolecularWeight: 823.9731

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)OC)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)C(CC1=CN=CN1C)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)[C@@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](CC1=CN=CN1C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C39H65N7O12/c1-22(2)17-26(32(50)42-25(15-16-29(47)56-37(4,5)6)31(49)41-23(3)35(53)55-14)43-34(52)28(19-30(48)57-38(7,8)9)44-33(51)27(18-24-20-40-21-46(24)13)45-36(54)58-39(10,11)12/h20-23,25-28H,15-19H2,1-14H3,(H,41,49)(H,42,50)(H,43,52)(H,44,51)(H,45,54)/t23-,25+,26-,27-,28-/m0/s1