2-[[2-bromanyl-4-(1-naphthalen-1-ylethylcarbamoyl)phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoic acid

Systemtic Name: 2-[[2-bromanyl-4-(1-naphthalen-1-ylethylcarbamoyl)phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoic acid Openeye Name: 2-[[2-bromo-4-[1-(1-naphthyl)ethylcarbamoyl]benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid CAS Name: 2-[[[2-bromo-4-[[1-(1-naphthalenyl)ethylamino]-oxomethyl]phenyl]-oxomethyl]amino]-3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid IUPAC Name: 2-[[2-bromo-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid Traditional Name: 2-[[2-bromo-4-[1-(1-naphthyl)ethylcarbamoyl]benzoyl]amino]-3-(2-thenoylamino)propionic acid Formula: C28H24BrN3O5S MolecularWeight: 594.47626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC(=C(C=C3)C(=O)NC(CNC(=O)C4=CC=CS4)C(=O)O)Br

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC(=C(C=C3)C(=O)NC(CNC(=O)C4=CC=CS4)C(=O)O)Br

InChI

InChI=1S/C28H24BrN3O5S/c1-16(19-9-4-7-17-6-2-3-8-20(17)19)31-25(33)18-11-12-21(22(29)14-18)26(34)32-23(28(36)37)15-30-27(35)24-10-5-13-38-24/h2-14,16,23H,15H2,1H3,(H,30,35)(H,31,33)(H,32,34)(H,36,37)