(2R)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]-3-phenyl-propionic acid Formula: C29H26N4O4 MolecularWeight: 494.54114

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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(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H26N4O4/c1-3-15-33(18-21-9-14-25-24(16-21)28(35)31-19(2)30-25)23-12-10-22(11-13-23)27(34)32-26(29(36)37)17-20-7-5-4-6-8-20/h1,4-14,16,26H,15,17-18H2,2H3,(H,32,34)(H,36,37)(H,30,31,35)/t26-/m1/s1