5-[[(2S)-2-[(1-cyclohexyl-3-oxidanylidene-2-phenyl-indazol-5-yl)carbonylamino]propanoyl]amino]-1H-indole-2-carboxylic acid

Systemtic Name: 5-[[(2S)-2-[(1-cyclohexyl-3-oxidanylidene-2-phenyl-indazol-5-yl)carbonylamino]propanoyl]amino]-1H-indole-2-carboxylic acid Openeye Name: 5-[[(2S)-2-[(1-cyclohexyl-3-oxo-2-phenyl-indazole-5-carbonyl)amino]propanoyl]amino]-1H-indole-2-carboxylic acid CAS Name: 5-[[(2S)-2-[[(1-cyclohexyl-3-oxo-2-phenyl-5-indazolyl)-oxomethyl]amino]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid IUPAC Name: 5-[[(2S)-2-[(1-cyclohexyl-3-oxo-2-phenylindazole-5-carbonyl)amino]propanoyl]amino]-1H-indole-2-carboxylic acid Traditional Name: 5-[[(2S)-2-[(1-cyclohexyl-3-keto-2-phenyl-indazoline-5-carbonyl)amino]propanoyl]amino]-1H-indole-2-carboxylic acid Formula: C32H31N5O5 MolecularWeight: 565.61904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)NC(=C2)C(=O)O)NC(=O)C3=CC4=C(C=C3)N(N(C4=O)C5=CC=CC=C5)C6CCCCC6

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)NC(=C2)C(=O)O)NC(=O)C3=CC4=C(C=C3)N(N(C4=O)C5=CC=CC=C5)C6CCCCC6

InChI

InChI=1S/C32H31N5O5/c1-19(29(38)34-22-13-14-26-21(16-22)18-27(35-26)32(41)42)33-30(39)20-12-15-28-25(17-20)31(40)37(24-10-6-3-7-11-24)36(28)23-8-4-2-5-9-23/h3,6-7,10-19,23,35H,2,4-5,8-9H2,1H3,(H,33,39)(H,34,38)(H,41,42)/t19-/m0/s1