2-[[4-[(3-aminophenyl)methylcarbamoyl]-2-bromanyl-phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoic acid

Systemtic Name: 2-[[4-[(3-aminophenyl)methylcarbamoyl]-2-bromanyl-phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoic acid Openeye Name: 2-[[4-[(3-aminophenyl)methylcarbamoyl]-2-bromo-benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid CAS Name: 2-[[[4-[[(3-aminophenyl)methylamino]-oxomethyl]-2-bromophenyl]-oxomethyl]amino]-3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid IUPAC Name: 2-[[4-[(3-aminophenyl)methylcarbamoyl]-2-bromobenzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid Traditional Name: 2-[[4-[(3-aminobenzyl)carbamoyl]-2-bromo-benzoyl]amino]-3-(2-thenoylamino)propionic acid Formula: C23H21BrN4O5S MolecularWeight: 545.40564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)CNC(=O)C2=CC(=C(C=C2)C(=O)NC(CNC(=O)C3=CC=CS3)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC(=C1)N)CNC(=O)C2=CC(=C(C=C2)C(=O)NC(CNC(=O)C3=CC=CS3)C(=O)O)Br

InChI

InChI=1S/C23H21BrN4O5S/c24-17-10-14(20(29)26-11-13-3-1-4-15(25)9-13)6-7-16(17)21(30)28-18(23(32)33)12-27-22(31)19-5-2-8-34-19/h1-10,18H,11-12,25H2,(H,26,29)(H,27,31)(H,28,30)(H,32,33)