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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C18H15BrN2O4/c19-11-5-6-16(22)13(8-11)17(23)21-15(18(24)25)7-10-9-20-14-4-2-1-3-12(10)14/h1-6,8-9,15,20,22H,7H2,(H,21,23)(H,24,25)/t15-/m0/s1