tert-butyl (2S)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-5-[[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl (2S)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-5-[[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl (2S)-5-[[(1R)-2-tert-butoxy-1-methyl-2-oxo-ethyl]amino]-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]-5-oxo-pentanoate CAS Name: (2S)-2-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]-5-[[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-[[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: (2S)-5-[[(1R)-2-tert-butoxy-2-keto-1-methyl-ethyl]amino]-5-keto-2-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]valeric acid tert-butyl ester Formula: C36H45N5O7 MolecularWeight: 659.7718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@H](C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C36H45N5O7/c1-10-19-41(21-24-11-16-28-27(20-24)32(44)39-23(3)38-28)26-14-12-25(13-15-26)31(43)40-29(34(46)48-36(7,8)9)17-18-30(42)37-22(2)33(45)47-35(4,5)6/h1,11-16,20,22,29H,17-19,21H2,2-9H3,(H,37,42)(H,40,43)(H,38,39,44)/t22-,29+/m1/s1