tert-butyl 2-[4-methylpentanoyl(phenylazanyl)amino]-5-phenyl-pentanoate

Systemtic Name: tert-butyl 2-[4-methylpentanoyl(phenylazanyl)amino]-5-phenyl-pentanoate Openeye Name: tert-butyl 2-[anilino(4-methylpentanoyl)amino]-5-phenyl-pentanoate CAS Name: 2-[anilino-(4-methyl-1-oxopentyl)amino]-5-phenylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[anilino(4-methylpentanoyl)amino]-5-phenylpentanoate Traditional Name: 2-[anilino(4-methylpentanoyl)amino]-5-phenyl-valeric acid tert-butyl ester Formula: C27H38N2O3 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CCCC1=CC=CC=C1)C(=O)OC(C)(C)C)NC2=CC=CC=C2

Isomeric SMILES

CC(C)CCC(=O)N(C(CCCC1=CC=CC=C1)C(=O)OC(C)(C)C)NC2=CC=CC=C2

InChI

InChI=1S/C27H38N2O3/c1-21(2)19-20-25(30)29(28-23-16-10-7-11-17-23)24(26(31)32-27(3,4)5)18-12-15-22-13-8-6-9-14-22/h6-11,13-14,16-17,21,24,28H,12,15,18-20H2,1-5H3