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

Systemtic Name: tert-butyl 3-benzamido-2-[4-methylpentanoyl-[methylsulfonyl(phenyl)amino]amino]propanoate Openeye Name: tert-butyl 3-benzamido-2-[4-methylpentanoyl-(N-methylsulfonylanilino)amino]propanoate CAS Name: 3-benzamido-2-[(4-methyl-1-oxopentyl)-(N-methylsulfonylanilino)amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-benzamido-2-[4-methylpentanoyl-(N-methylsulfonylanilino)amino]propanoate Traditional Name: 3-benzamido-2-[(N-mesylanilino)-(4-methylpentanoyl)amino]propionic acid tert-butyl ester Formula: C27H37N3O6S MolecularWeight: 531.66418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CNC(=O)C1=CC=CC=C1)C(=O)OC(C)(C)C)N(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)CCC(=O)N(C(CNC(=O)C1=CC=CC=C1)C(=O)OC(C)(C)C)N(C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C27H37N3O6S/c1-20(2)17-18-24(31)29(30(37(6,34)35)22-15-11-8-12-16-22)23(26(33)36-27(3,4)5)19-28-25(32)21-13-9-7-10-14-21/h7-16,20,23H,17-19H2,1-6H3,(H,28,32)