(2S)-3-[4-oxidanylidene-6-[(E)-3-(pyridin-2-ylamino)prop-1-enyl]-1H-quinazolin-2-yl]-2-[[5-(phenylsulfonyl)thiophen-2-yl]sulfonylamino]propanoic acid

Systemtic Name: (2S)-3-[4-oxidanylidene-6-[(E)-3-(pyridin-2-ylamino)prop-1-enyl]-1H-quinazolin-2-yl]-2-[[5-(phenylsulfonyl)thiophen-2-yl]sulfonylamino]propanoic acid Openeye Name: (2S)-2-[[5-(benzenesulfonyl)-2-thienyl]sulfonylamino]-3-[4-oxo-6-[(E)-3-(2-pyridylamino)prop-1-enyl]-1H-quinazolin-2-yl]propanoic acid CAS Name: (2S)-2-[[5-(benzenesulfonyl)-2-thiophenyl]sulfonylamino]-3-[4-oxo-6-[(E)-3-(2-pyridinylamino)prop-1-enyl]-1H-quinazolin-2-yl]propanoic acid IUPAC Name: (2S)-2-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]-3-[4-oxo-6-[(E)-3-(pyridin-2-ylamino)prop-1-enyl]-1H-quinazolin-2-yl]propanoic acid Traditional Name: (2S)-2-[(5-besyl-2-thienyl)sulfonylamino]-3-[4-keto-6-[(E)-3-(2-pyridylamino)prop-1-enyl]-1H-quinazolin-2-yl]propionic acid Formula: C29H25N5O7S3 MolecularWeight: 651.7331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(S2)S(=O)(=O)NC(CC3=NC(=O)C4=C(N3)C=CC(=C4)C=CCNC5=CC=CC=N5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(S2)S(=O)(=O)N[C@@H](CC3=NC(=O)C4=C(N3)C=CC(=C4)/C=C/CNC5=CC=CC=N5)C(=O)O

InChI

InChI=1S/C29H25N5O7S3/c35-28-21-17-19(7-6-16-31-24-10-4-5-15-30-24)11-12-22(21)32-25(33-28)18-23(29(36)37)34-44(40,41)27-14-13-26(42-27)43(38,39)20-8-2-1-3-9-20/h1-15,17,23,34H,16,18H2,(H,30,31)(H,36,37)(H,32,33,35)/b7-6+/t23-/m0/s1