(2S)-3-[6-[3-(4,5-dihydro-1H-imidazol-2-ylamino)prop-1-ynyl]-4-oxidanylidene-1H-quinazolin-2-yl]-2-[[2,4,6-tris(chloranyl)phenyl]sulfonylamino]propanoic acid

Systemtic Name: (2S)-3-[6-[3-(4,5-dihydro-1H-imidazol-2-ylamino)prop-1-ynyl]-4-oxidanylidene-1H-quinazolin-2-yl]-2-[[2,4,6-tris(chloranyl)phenyl]sulfonylamino]propanoic acid Openeye Name: (2S)-3-[6-[3-(4,5-dihydro-1H-imidazol-2-ylamino)prop-1-ynyl]-4-oxo-1H-quinazolin-2-yl]-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid CAS Name: (2S)-3-[6-[3-(4,5-dihydro-1H-imidazol-2-ylamino)prop-1-ynyl]-4-oxo-1H-quinazolin-2-yl]-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid IUPAC Name: (2S)-3-[6-[3-(4,5-dihydro-1H-imidazol-2-ylamino)prop-1-ynyl]-4-oxo-1H-quinazolin-2-yl]-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid Traditional Name: (2S)-3-[6-[3-(2-imidazolin-2-ylamino)prop-1-ynyl]-4-keto-1H-quinazolin-2-yl]-2-[(2,4,6-trichlorophenyl)sulfonylamino]propionic acid Formula: C23H19Cl3N6O5S MolecularWeight: 597.85816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NCC#CC2=CC3=C(C=C2)NC(=NC3=O)CC(C(=O)O)NS(=O)(=O)C4=C(C=C(C=C4Cl)Cl)Cl

Isomeric SMILES

C1CN=C(N1)NCC#CC2=CC3=C(C=C2)NC(=NC3=O)C[C@@H](C(=O)O)NS(=O)(=O)C4=C(C=C(C=C4Cl)Cl)Cl

InChI

InChI=1S/C23H19Cl3N6O5S/c24-13-9-15(25)20(16(26)10-13)38(36,37)32-18(22(34)35)11-19-30-17-4-3-12(8-14(17)21(33)31-19)2-1-5-27-23-28-6-7-29-23/h3-4,8-10,18,32H,5-7,11H2,(H,34,35)(H2,27,28,29)(H,30,31,33)/t18-/m0/s1