(2S)-2-[(4-bromophenyl)sulfonylamino]-3-[[5-(piperidin-4-ylmethoxy)-1H-indol-2-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-[[5-(piperidin-4-ylmethoxy)-1H-indol-2-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-[[5-(4-piperidylmethoxy)-1H-indole-2-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-[[oxo-[5-(4-piperidinylmethoxy)-1H-indol-2-yl]methyl]amino]propanoic acid IUPAC Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-[[5-(piperidin-4-ylmethoxy)-1H-indole-2-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-(brosylamino)-3-[[5-(4-piperidylmethoxy)-1H-indole-2-carbonyl]amino]propionic acid Formula: C24H27BrN4O6S MolecularWeight: 579.46338

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1COC2=CC3=C(C=C2)NC(=C3)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CNCCC1COC2=CC3=C(C=C2)NC(=C3)C(=O)NC[C@@H](C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H27BrN4O6S/c25-17-1-4-19(5-2-17)36(33,34)29-22(24(31)32)13-27-23(30)21-12-16-11-18(3-6-20(16)28-21)35-14-15-7-9-26-10-8-15/h1-6,11-12,15,22,26,28-29H,7-10,13-14H2,(H,27,30)(H,31,32)/t22-/m0/s1