(2S)-2-[(2-bromophenyl)carbonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(2-bromophenyl)carbonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(2-bromobenzoyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(2-bromobenzoyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(CC2=CNC3=C2C=C(C=C3)O)C(=O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N[C@@H](CC2=CNC3=C2C=C(C=C3)O)C(=O)O)Br

InChI

InChI=1S/C18H15BrN2O4/c19-14-4-2-1-3-12(14)17(23)21-16(18(24)25)7-10-9-20-15-6-5-11(22)8-13(10)15/h1-6,8-9,16,20,22H,7H2,(H,21,23)(H,24,25)/t16-/m0/s1