[2-[[2-(1-benzofuran-2-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-2-phenyl-ethyl] 2-azanyl-4-methyl-pentanoate

Systemtic Name: [2-[[2-(1-benzofuran-2-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-2-phenyl-ethyl] 2-azanyl-4-methyl-pentanoate Openeye Name: [2-[[2-(benzofuran-2-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-2-phenyl-ethyl] 2-amino-4-methyl-pentanoate CAS Name: 2-amino-4-methylpentanoic acid [2-[[2-[[2-benzofuranylmethoxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]-2-phenylethyl] ester IUPAC Name: [2-[[2-(1-benzofuran-2-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-2-phenylethyl] 2-amino-4-methylpentanoate Traditional Name: 2-amino-4-methyl-valeric acid [2-[[2-(benzofuran-2-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-2-phenyl-ethyl] ester Formula: C36H40N4O6 MolecularWeight: 624.726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(C1=CC=CC=C1)NC(=O)C(C)(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC5=CC=CC=C5O4)N

Isomeric SMILES

CC(C)CC(C(=O)OCC(C1=CC=CC=C1)NC(=O)C(C)(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC5=CC=CC=C5O4)N

InChI

InChI=1S/C36H40N4O6/c1-23(2)17-29(37)33(41)44-22-31(24-11-5-4-6-12-24)39-34(42)36(3,19-26-20-38-30-15-9-8-14-28(26)30)40-35(43)45-21-27-18-25-13-7-10-16-32(25)46-27/h4-16,18,20,23,29,31,38H,17,19,21-22,37H2,1-3H3,(H,39,42)(H,40,43)