3-[[4-[2-(4-azanylquinazolin-2-yl)ethyl]phenyl]carbonylamino]-2-(butoxycarbonylamino)propanoic acid

Systemtic Name: 3-[[4-[2-(4-azanylquinazolin-2-yl)ethyl]phenyl]carbonylamino]-2-(butoxycarbonylamino)propanoic acid Openeye Name: 3-[[4-[2-(4-aminoquinazolin-2-yl)ethyl]benzoyl]amino]-2-(butoxycarbonylamino)propanoic acid CAS Name: 3-[[[4-[2-(4-amino-2-quinazolinyl)ethyl]phenyl]-oxomethyl]amino]-2-[[butoxy(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[[4-[2-(4-aminoquinazolin-2-yl)ethyl]benzoyl]amino]-2-(butoxycarbonylamino)propanoic acid Traditional Name: 3-[[4-[2-(4-aminoquinazolin-2-yl)ethyl]benzoyl]amino]-2-(butoxycarbonylamino)propionic acid Formula: C25H29N5O5 MolecularWeight: 479.52826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CNC(=O)C1=CC=C(C=C1)CCC2=NC3=CC=CC=C3C(=N2)N)C(=O)O

Isomeric SMILES

CCCCOC(=O)NC(CNC(=O)C1=CC=C(C=C1)CCC2=NC3=CC=CC=C3C(=N2)N)C(=O)O

InChI

InChI=1S/C25H29N5O5/c1-2-3-14-35-25(34)29-20(24(32)33)15-27-23(31)17-11-8-16(9-12-17)10-13-21-28-19-7-5-4-6-18(19)22(26)30-21/h4-9,11-12,20H,2-3,10,13-15H2,1H3,(H,27,31)(H,29,34)(H,32,33)(H2,26,28,30)