tert-butyl 3-azanyl-2-[4-methylpentanoyl-[methylsulfonyl(phenyl)amino]amino]propanoate

Systemtic Name: tert-butyl 3-azanyl-2-[4-methylpentanoyl-[methylsulfonyl(phenyl)amino]amino]propanoate Openeye Name: tert-butyl 3-amino-2-[4-methylpentanoyl-(N-methylsulfonylanilino)amino]propanoate CAS Name: 3-amino-2-[(4-methyl-1-oxopentyl)-(N-methylsulfonylanilino)amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-2-[4-methylpentanoyl-(N-methylsulfonylanilino)amino]propanoate Traditional Name: 3-amino-2-[(N-mesylanilino)-(4-methylpentanoyl)amino]propionic acid tert-butyl ester Formula: C20H33N3O5S MolecularWeight: 427.55812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CN)C(=O)OC(C)(C)C)N(C1=CC=CC=C1)S(=O)(=O)C

Isomeric SMILES

CC(C)CCC(=O)N(C(CN)C(=O)OC(C)(C)C)N(C1=CC=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C20H33N3O5S/c1-15(2)12-13-18(24)22(17(14-21)19(25)28-20(3,4)5)23(29(6,26)27)16-10-8-7-9-11-16/h7-11,15,17H,12-14,21H2,1-6H3