5-azanyl-2-[[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-(phenylcarbonyl)amino]pentanoic acid

Systemtic Name: 5-azanyl-2-[[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-(phenylcarbonyl)amino]pentanoic acid Openeye Name: 5-amino-2-[benzoyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]amino]pentanoic acid CAS Name: 5-amino-2-[benzoyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]amino]pentanoic acid IUPAC Name: 5-amino-2-[benzoyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]amino]pentanoic acid Traditional Name: 5-amino-2-[benzoyl-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]amino]valeric acid Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)N(C(CCCN)C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)N(C(CCCN)C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H27N5O4/c1-3-14-29(16-18-11-12-21-20(15-18)23(31)28-17(2)27-21)30(22(25(33)34)10-7-13-26)24(32)19-8-5-4-6-9-19/h1,4-6,8-9,11-12,15,22H,7,10,13-14,16,26H2,2H3,(H,33,34)(H,27,28,31)