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

Systemtic Name: (phenylmethyl) 2-[(1R)-1-[[(2S)-2-(cyclohexyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylate Openeye Name: benzyl 2-[(1R)-1-[[(2S)-2-(cyclohexoxycarbonylamino)-4-methyl-pentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylate CAS Name: 2-[(1R)-1-[[(2S)-2-[[cyclohexyloxy(oxo)methyl]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-(cyclohexyloxycarbonylamino)-4-methylpentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylate Traditional Name: 2-[(1R)-1-[[(2S)-2-(cyclohexoxycarbonylamino)-4-methyl-pentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylic acid benzyl ester Formula: C36H45N5O5 MolecularWeight: 627.773

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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)OC4CCCCC4)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)OC4CCCCC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C36H45N5O5/c1-23(2)19-30(39-36(44)46-27-15-9-6-10-16-27)34(42)38-29(20-26-21-41(4)31-18-12-11-17-28(26)31)33-37-24(3)32(40-33)35(43)45-22-25-13-7-5-8-14-25/h5,7-8,11-14,17-18,21,23,27,29-30H,6,9-10,15-16,19-20,22H2,1-4H3,(H,37,40)(H,38,42)(H,39,44)/t29-,30+/m1/s1