ditert-butyl (2R)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioate

Systemtic Name: ditert-butyl (2R)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioate Openeye Name: ditert-butyl (2R)-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioate CAS Name: (2R)-2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2R)-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioate Traditional Name: (2R)-2-[[4-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid ditert-butyl ester Formula: C32H39N5O6 MolecularWeight: 589.68196

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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)NC(=NC3=O)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)NC(=NC3=O)N

InChI

InChI=1S/C32H39N5O6/c1-8-17-37(19-20-9-14-24-23(18-20)28(40)36-30(33)35-24)22-12-10-21(11-13-22)27(39)34-25(29(41)43-32(5,6)7)15-16-26(38)42-31(2,3)4/h1,9-14,18,25H,15-17,19H2,2-7H3,(H,34,39)(H3,33,35,36,40)/t25-/m1/s1