ditert-butyl (2R)-2-[[4-[(2-azanyl-3-methyl-4-oxidanylidene-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioate

Systemtic Name: ditert-butyl (2R)-2-[[4-[(2-azanyl-3-methyl-4-oxidanylidene-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioate Openeye Name: ditert-butyl (2R)-2-[[4-[(2-amino-3-methyl-4-oxo-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioate CAS Name: (2R)-2-[[[4-[(2-amino-3-methyl-4-oxo-6-quinazolinyl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2R)-2-[[4-[(2-amino-3-methyl-4-oxoquinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioate Traditional Name: (2R)-2-[[4-[(2-amino-4-keto-3-methyl-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid ditert-butyl ester Formula: C33H41N5O6 MolecularWeight: 603.70854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)N=C(N(C3=O)C)N

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@H](C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)N=C(N(C3=O)C)N

InChI

InChI=1S/C33H41N5O6/c1-9-18-38(20-21-10-15-25-24(19-21)29(41)37(8)31(34)36-25)23-13-11-22(12-14-23)28(40)35-26(30(42)44-33(5,6)7)16-17-27(39)43-32(2,3)4/h1,10-15,19,26H,16-18,20H2,2-8H3,(H2,34,36)(H,35,40)/t26-/m1/s1