(phenylmethyl) 2-[(1R)-1-[[(2S)-2-(cyclohexylcarbamoylamino)-4-methyl-pentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylate

Systemtic Name: (phenylmethyl) 2-[(1R)-1-[[(2S)-2-(cyclohexylcarbamoylamino)-4-methyl-pentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylate Openeye Name: benzyl 2-[(1R)-1-[[(2S)-2-(cyclohexylcarbamoylamino)-4-methyl-pentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylate CAS Name: 2-[(1R)-1-[[(2S)-2-[[(cyclohexylamino)-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-2-(1-methyl-3-indolyl)ethyl]-5-methyl-1H-imidazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(1R)-1-[[(2S)-2-(cyclohexylcarbamoylamino)-4-methylpentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylate Traditional Name: 2-[(1R)-1-[[(2S)-2-(cyclohexylcarbamoylamino)-4-methyl-pentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylic acid benzyl ester Formula: C36H46N6O4 MolecularWeight: 626.78824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C(CC2=CN(C3=CC=CC=C32)C)NC(=O)C(CC(C)C)NC(=O)NC4CCCCC4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C(N1)[C@@H](CC2=CN(C3=CC=CC=C32)C)NC(=O)[C@H](CC(C)C)NC(=O)NC4CCCCC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C36H46N6O4/c1-23(2)19-30(40-36(45)38-27-15-9-6-10-16-27)34(43)39-29(20-26-21-42(4)31-18-12-11-17-28(26)31)33-37-24(3)32(41-33)35(44)46-22-25-13-7-5-8-14-25/h5,7-8,11-14,17-18,21,23,27,29-30H,6,9-10,15-16,19-20,22H2,1-4H3,(H,37,41)(H,39,43)(H2,38,40,45)/t29-,30+/m1/s1