2-[[2-(azepan-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[2-(azepan-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(azepane-2-carbonylamino)-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[[2-azepanyl(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(azepane-2-carbonylamino)-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(azepane-2-carbonylamino)-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C24H34N4O4 MolecularWeight: 442.55116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C3CCCCCN3

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C3CCCCCN3

InChI

InChI=1S/C24H34N4O4/c1-15(2)12-20(27-22(29)19-10-4-3-7-11-25-19)23(30)28-21(24(31)32)13-16-14-26-18-9-6-5-8-17(16)18/h5-6,8-9,14-15,19-21,25-26H,3-4,7,10-13H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)