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

Systemtic Name: tert-butyl 3-azanyl-2-[4,4-dimethylpentanoyl-[methylsulfonyl(phenyl)amino]amino]propanoate Openeye Name: tert-butyl 3-amino-2-[4,4-dimethylpentanoyl-(N-methylsulfonylanilino)amino]propanoate CAS Name: 3-amino-2-[(4,4-dimethyl-1-oxopentyl)-(N-methylsulfonylanilino)amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-2-[4,4-dimethylpentanoyl-(N-methylsulfonylanilino)amino]propanoate Traditional Name: 3-amino-2-[4,4-dimethylpentanoyl-(N-mesylanilino)amino]propionic acid tert-butyl ester Formula: C21H35N3O5S MolecularWeight: 441.5847

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H35N3O5S/c1-20(2,3)14-13-18(25)23(17(15-22)19(26)29-21(4,5)6)24(30(7,27)28)16-11-9-8-10-12-16/h8-12,17H,13-15,22H2,1-7H3