(phenylmethyl) 2-[(1R)-1-[[(2S)-2-(2-cyclohexylethanoylamino)-4-methyl-pentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxylate

Systemtic Name: (phenylmethyl) 2-[(1R)-1-[[(2S)-2-(2-cyclohexylethanoylamino)-4-methyl-pentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxylate Openeye Name: benzyl 2-[(1R)-1-[[(2S)-2-[(2-cyclohexylacetyl)amino]-4-methyl-pentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-oxazole-4-carboxylate CAS Name: 2-[(1R)-1-[[(2S)-2-[(2-cyclohexyl-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]-2-(1-methyl-3-indolyl)ethyl]-5-methyl-4-oxazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(1R)-1-[[(2S)-2-[(2-cyclohexylacetyl)amino]-4-methylpentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxylate Traditional Name: 2-[(1R)-1-[[(2S)-2-[(2-cyclohexylacetyl)amino]-4-methyl-pentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-oxazole-4-carboxylic acid benzyl ester Formula: C37H46N4O5 MolecularWeight: 626.78494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C(CC2=CN(C3=CC=CC=C32)C)NC(=O)C(CC(C)C)NC(=O)CC4CCCCC4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C(O1)[C@@H](CC2=CN(C3=CC=CC=C32)C)NC(=O)[C@H](CC(C)C)NC(=O)CC4CCCCC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C37H46N4O5/c1-24(2)19-30(38-33(42)20-26-13-7-5-8-14-26)35(43)39-31(21-28-22-41(4)32-18-12-11-17-29(28)32)36-40-34(25(3)46-36)37(44)45-23-27-15-9-6-10-16-27/h6,9-12,15-18,22,24,26,30-31H,5,7-8,13-14,19-21,23H2,1-4H3,(H,38,42)(H,39,43)/t30-,31+/m0/s1