(2S)-2-[[4-[(4-oxidanylidene-2-phenyl-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[(4-oxidanylidene-2-phenyl-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(4-oxo-2-phenyl-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[oxo-[4-[(4-oxo-2-phenyl-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]methyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(4-oxo-2-phenyl-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(4-keto-2-phenyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C30H26N4O6 MolecularWeight: 538.55064

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C30H26N4O6/c1-2-16-34(22-11-9-21(10-12-22)28(37)32-25(30(39)40)14-15-26(35)36)18-19-8-13-24-23(17-19)29(38)33-27(31-24)20-6-4-3-5-7-20/h1,3-13,17,25H,14-16,18H2,(H,32,37)(H,35,36)(H,39,40)(H,31,33,38)/t25-/m0/s1