tert-butyl 2-[4-methylpentanoyl-[2-methylpropyl(methylsulfonyl)amino]amino]-3-phenylsulfanyl-propanoate

Systemtic Name: tert-butyl 2-[4-methylpentanoyl-[2-methylpropyl(methylsulfonyl)amino]amino]-3-phenylsulfanyl-propanoate Openeye Name: tert-butyl 2-[[isobutyl(methylsulfonyl)amino]-(4-methylpentanoyl)amino]-3-phenylsulfanyl-propanoate CAS Name: 2-[(4-methyl-1-oxopentyl)-[2-methylpropyl(methylsulfonyl)amino]amino]-3-(phenylthio)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-methylpentanoyl-[2-methylpropyl(methylsulfonyl)amino]amino]-3-phenylsulfanylpropanoate Traditional Name: 2-[[isobutyl(mesyl)amino]-(4-methylpentanoyl)amino]-3-(phenylthio)propionic acid tert-butyl ester Formula: C24H40N2O5S2 MolecularWeight: 500.7148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CSC1=CC=CC=C1)C(=O)OC(C)(C)C)N(CC(C)C)S(=O)(=O)C

Isomeric SMILES

CC(C)CCC(=O)N(C(CSC1=CC=CC=C1)C(=O)OC(C)(C)C)N(CC(C)C)S(=O)(=O)C

InChI

InChI=1S/C24H40N2O5S2/c1-18(2)14-15-22(27)26(25(16-19(3)4)33(8,29)30)21(23(28)31-24(5,6)7)17-32-20-12-10-9-11-13-20/h9-13,18-19,21H,14-17H2,1-8H3