2-[(1R)-1-[[(2S)-2-(azepan-1-ylcarbonylamino)-4-methyl-pentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-5-(phenylmethyl)-1H-imidazole-4-carboxylic acid

Systemtic Name: 2-[(1R)-1-[[(2S)-2-(azepan-1-ylcarbonylamino)-4-methyl-pentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-5-(phenylmethyl)-1H-imidazole-4-carboxylic acid Openeye Name: 2-[(1R)-1-[[(2S)-2-(azepane-1-carbonylamino)-4-methyl-pentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-5-benzyl-1H-imidazole-4-carboxylic acid CAS Name: 2-[(1R)-1-[[(2S)-2-[[1-azepanyl(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-2-(1H-indol-3-yl)ethyl]-5-(phenylmethyl)-1H-imidazole-4-carboxylic acid IUPAC Name: 2-[(1R)-1-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-5-benzyl-1H-imidazole-4-carboxylic acid Traditional Name: 2-[(1R)-1-[[(2S)-2-(azepane-1-carbonylamino)-4-methyl-pentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-5-benzyl-1H-imidazole-4-carboxylic acid Formula: C34H42N6O4 MolecularWeight: 598.73508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C3=NC(=C(N3)CC4=CC=CC=C4)C(=O)O)NC(=O)N5CCCCCC5

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C3=NC(=C(N3)CC4=CC=CC=C4)C(=O)O)NC(=O)N5CCCCCC5

InChI

InChI=1S/C34H42N6O4/c1-22(2)18-29(38-34(44)40-16-10-3-4-11-17-40)32(41)37-28(20-24-21-35-26-15-9-8-14-25(24)26)31-36-27(30(39-31)33(42)43)19-23-12-6-5-7-13-23/h5-9,12-15,21-22,28-29,35H,3-4,10-11,16-20H2,1-2H3,(H,36,39)(H,37,41)(H,38,44)(H,42,43)/t28-,29+/m1/s1