tert-butyl 4-benzamido-2-[4-methylpentanoyl-(2-methylpropylamino)amino]butanoate

Systemtic Name: tert-butyl 4-benzamido-2-[4-methylpentanoyl-(2-methylpropylamino)amino]butanoate Openeye Name: tert-butyl 4-benzamido-2-[(isobutylamino)-(4-methylpentanoyl)amino]butanoate CAS Name: 4-benzamido-2-[(4-methyl-1-oxopentyl)-(2-methylpropylamino)amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzamido-2-[4-methylpentanoyl-(2-methylpropylamino)amino]butanoate Traditional Name: 4-benzamido-2-[(isobutylamino)-(4-methylpentanoyl)amino]butyric acid tert-butyl ester Formula: C25H41N3O4 MolecularWeight: 447.61074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CCNC(=O)C1=CC=CC=C1)C(=O)OC(C)(C)C)NCC(C)C

Isomeric SMILES

CC(C)CCC(=O)N(C(CCNC(=O)C1=CC=CC=C1)C(=O)OC(C)(C)C)NCC(C)C

InChI

InChI=1S/C25H41N3O4/c1-18(2)13-14-22(29)28(27-17-19(3)4)21(24(31)32-25(5,6)7)15-16-26-23(30)20-11-9-8-10-12-20/h8-12,18-19,21,27H,13-17H2,1-7H3,(H,26,30)