tert-butyl 2-[2-azanylpropanoyl(phenylcarbonyl)amino]-2-[2-(4-cyanophenyl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[2-azanylpropanoyl(phenylcarbonyl)amino]-2-[2-(4-cyanophenyl)ethanoylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[2-aminopropanoyl(benzoyl)amino]-2-[[2-(4-cyanophenyl)acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[(2-amino-1-oxopropyl)-benzoylamino]-2-[[2-(4-cyanophenyl)-1-oxoethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-aminopropanoyl(benzoyl)amino]-2-[[2-(4-cyanophenyl)acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[alanyl(benzoyl)amino]-2-[[2-(4-cyanophenyl)acetyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C32H34N4O5 MolecularWeight: 554.63616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(=O)C1=CC=CC=C1)C(CC2=CC=CC=C2)(C(=O)OC(C)(C)C)NC(=O)CC3=CC=C(C=C3)C#N)N

Isomeric SMILES

CC(C(=O)N(C(=O)C1=CC=CC=C1)C(CC2=CC=CC=C2)(C(=O)OC(C)(C)C)NC(=O)CC3=CC=C(C=C3)C#N)N

InChI

InChI=1S/C32H34N4O5/c1-22(34)28(38)36(29(39)26-13-9-6-10-14-26)32(30(40)41-31(2,3)4,20-24-11-7-5-8-12-24)35-27(37)19-23-15-17-25(21-33)18-16-23/h5-18,22H,19-20,34H2,1-4H3,(H,35,37)