(2S)-2-[(6-bromanyl-1H-indol-3-yl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2S)-2-[(6-bromanyl-1H-indol-3-yl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2S)-2-[(6-bromo-1H-indole-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-[[(6-bromo-1H-indol-3-yl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-[(6-bromo-1H-indole-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-[(6-bromo-1H-indole-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C15H13BrN4O3 MolecularWeight: 377.19272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)NC=C2C(=O)NC(CC3=CN=CN3)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)NC=C2C(=O)N[C@@H](CC3=CN=CN3)C(=O)O

InChI

InChI=1S/C15H13BrN4O3/c16-8-1-2-10-11(6-18-12(10)3-8)14(21)20-13(15(22)23)4-9-5-17-7-19-9/h1-3,5-7,13,18H,4H2,(H,17,19)(H,20,21)(H,22,23)/t13-/m0/s1