2-[1-(dipyridin-2-ylmethyl)-4-[2-(1H-indol-2-ylcarbonylamino)propanoyl]piperazin-2-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[1-(dipyridin-2-ylmethyl)-4-[2-(1H-indol-2-ylcarbonylamino)propanoyl]piperazin-2-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-[bis(2-pyridyl)methyl]-4-[2-(1H-indole-2-carbonylamino)propanoyl]piperazin-2-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-[bis(2-pyridinyl)methyl]-4-[2-[[1H-indol-2-yl(oxo)methyl]amino]-1-oxopropyl]-2-piperazinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(dipyridin-2-ylmethyl)-4-[2-(1H-indole-2-carbonylamino)propanoyl]piperazin-2-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[1-[bis(2-pyridyl)methyl]-4-[2-(1H-indole-2-carbonylamino)propanoyl]piperazin-2-yl]thio]nicotinic acid Formula: C33H31N7O4S MolecularWeight: 621.70874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(C(C1)SC2=C(C=CC=N2)C(=O)O)C(C3=CC=CC=N3)C4=CC=CC=N4)NC(=O)C5=CC6=CC=CC=C6N5

Isomeric SMILES

CC(C(=O)N1CCN(C(C1)SC2=C(C=CC=N2)C(=O)O)C(C3=CC=CC=N3)C4=CC=CC=N4)NC(=O)C5=CC6=CC=CC=C6N5

InChI

InChI=1S/C33H31N7O4S/c1-21(37-30(41)27-19-22-9-2-3-11-24(22)38-27)32(42)39-17-18-40(28(20-39)45-31-23(33(43)44)10-8-16-36-31)29(25-12-4-6-14-34-25)26-13-5-7-15-35-26/h2-16,19,21,28-29,38H,17-18,20H2,1H3,(H,37,41)(H,43,44)