2-[[3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]benzoyl]amino]-3-phenyl-propionic acid Formula: C27H22N4O4S MolecularWeight: 498.55298

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H22N4O4S/c28-24-23(26-30-19-11-4-5-12-22(19)36-26)21(32)15-31(24)18-10-6-9-17(14-18)25(33)29-20(27(34)35)13-16-7-2-1-3-8-16/h1-12,14,20H,13,15,28H2,(H,29,33)(H,34,35)