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

Systemtic Name: (2S)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]sulfonylamino]pentanoic acid Openeye Name: (2S)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]sulfonylamino]pentanoic acid CAS Name: (2S)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]sulfonylamino]pentanoic acid IUPAC Name: (2S)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]sulfonylamino]pentanoic acid Traditional Name: (2S)-2-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]phenyl]sulfonylamino]valeric acid Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)C

Isomeric SMILES

CCC[C@@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)C

InChI

InChI=1S/C24H26N4O5S/c1-4-6-22(24(30)31)27-34(32,33)19-10-8-18(9-11-19)28(13-5-2)15-17-7-12-21-20(14-17)23(29)26-16(3)25-21/h2,7-12,14,22,27H,4,6,13,15H2,1,3H3,(H,30,31)(H,25,26,29)/t22-/m0/s1