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

Systemtic Name: (phenylmethyl) 5-methyl-2-[(1R)-2-(1-methylindol-3-yl)-1-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]ethyl]-1H-imidazole-4-carboxylate Openeye Name: benzyl 2-[(1R)-1-[[(2S)-2-[tert-butoxycarbonyl(methyl)amino]-4-methyl-pentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylate CAS Name: 5-methyl-2-[(1R)-2-(1-methyl-3-indolyl)-1-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]ethyl]-1H-imidazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-2-[(1R)-2-(1-methylindol-3-yl)-1-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]ethyl]-1H-imidazole-4-carboxylate Traditional Name: 2-[(1R)-1-[[(2S)-2-[tert-butoxycarbonyl(methyl)amino]-4-methyl-pentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylic acid benzyl ester Formula: C35H45N5O5 MolecularWeight: 615.7623

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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)N(C)C(=O)OC(C)(C)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(N1)[C@@H](CC2=CN(C3=CC=CC=C32)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C35H45N5O5/c1-22(2)18-29(40(8)34(43)45-35(4,5)6)32(41)37-27(19-25-20-39(7)28-17-13-12-16-26(25)28)31-36-23(3)30(38-31)33(42)44-21-24-14-10-9-11-15-24/h9-17,20,22,27,29H,18-19,21H2,1-8H3,(H,36,38)(H,37,41)/t27-,29+/m1/s1