(2R)-3-(1H-indol-3-yl)-2-[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]propanoic acid

Systemtic Name: (2R)-3-(1H-indol-3-yl)-2-[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]propanoic acid Openeye Name: (2R)-3-(1H-indol-3-yl)-2-[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]propanoic acid CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[1-oxo-4-(4-oxo-1H-quinazolin-2-yl)butyl]amino]propanoic acid IUPAC Name: (2R)-3-(1H-indol-3-yl)-2-[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]propanoic acid Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[4-(4-keto-1H-quinazolin-2-yl)butanoylamino]propionic acid Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)NC(=O)CCCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H22N4O4/c28-21(11-5-10-20-25-18-9-4-2-7-16(18)22(29)27-20)26-19(23(30)31)12-14-13-24-17-8-3-1-6-15(14)17/h1-4,6-9,13,19,24H,5,10-12H2,(H,26,28)(H,30,31)(H,25,27,29)/t19-/m1/s1