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

Systemtic Name: tert-butyl 2-[4-methylpentanoyl-[methylsulfonyl(phenyl)amino]amino]-3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: tert-butyl 2-[4-methylpentanoyl-(N-methylsulfonylanilino)amino]-3-(2-thienylsulfonylamino)propanoate CAS Name: 2-[(4-methyl-1-oxopentyl)-(N-methylsulfonylanilino)amino]-3-(thiophen-2-ylsulfonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-methylpentanoyl-(N-methylsulfonylanilino)amino]-3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 2-[(N-mesylanilino)-(4-methylpentanoyl)amino]-3-(2-thienylsulfonylamino)propionic acid tert-butyl ester Formula: C24H35N3O7S3 MolecularWeight: 573.7456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CNS(=O)(=O)C1=CC=CS1)C(=O)OC(C)(C)C)N(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)CCC(=O)N(C(CNS(=O)(=O)C1=CC=CS1)C(=O)OC(C)(C)C)N(C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C24H35N3O7S3/c1-18(2)14-15-21(28)26(27(36(6,30)31)19-11-8-7-9-12-19)20(23(29)34-24(3,4)5)17-25-37(32,33)22-13-10-16-35-22/h7-13,16,18,20,25H,14-15,17H2,1-6H3