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

Systemtic Name: tert-butyl (2S)-5-benzamido-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl (2S)-5-benzamido-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]-5-oxo-pentanoate CAS Name: (2S)-5-benzamido-2-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-5-benzamido-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoate Traditional Name: (2S)-5-benzamido-5-keto-2-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]valeric acid tert-butyl ester Formula: C36H37N5O6 MolecularWeight: 635.70888

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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(=O)C4=CC=CC=C4)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)NC(=O)C4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C36H37N5O6/c1-6-20-41(22-24-12-17-29-28(21-24)34(45)38-23(2)37-29)27-15-13-26(14-16-27)32(43)39-30(35(46)47-36(3,4)5)18-19-31(42)40-33(44)25-10-8-7-9-11-25/h1,7-17,21,30H,18-20,22H2,2-5H3,(H,39,43)(H,37,38,45)(H,40,42,44)/t30-/m0/s1