3-methyl-3-[[3-methylbutyl-[1-[(2-methyl-3-methylsulfonyl-propanoyl)amino]-2-oxidanyl-4-phenyl-butyl]sulfamoyl]amino]butanoic acid

Systemtic Name: 3-methyl-3-[[3-methylbutyl-[1-[(2-methyl-3-methylsulfonyl-propanoyl)amino]-2-oxidanyl-4-phenyl-butyl]sulfamoyl]amino]butanoic acid Openeye Name: 3-[[[2-hydroxy-1-[(2-methyl-3-methylsulfonyl-propanoyl)amino]-4-phenyl-butyl]-isopentyl-sulfamoyl]amino]-3-methyl-butanoic acid CAS Name: 3-[[[2-hydroxy-1-[(2-methyl-3-methylsulfonyl-1-oxopropyl)amino]-4-phenylbutyl]-(3-methylbutyl)sulfamoyl]amino]-3-methylbutanoic acid IUPAC Name: 3-[[[2-hydroxy-1-[(2-methyl-3-methylsulfonylpropanoyl)amino]-4-phenylbutyl]-(3-methylbutyl)sulfamoyl]amino]-3-methylbutanoic acid Traditional Name: 3-[[[2-hydroxy-1-[(3-mesyl-2-methyl-propanoyl)amino]-4-phenyl-butyl]-isoamyl-sulfamoyl]amino]-3-methyl-butyric acid Formula: C25H43N3O8S2 MolecularWeight: 577.75422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(C(CCC1=CC=CC=C1)O)NC(=O)C(C)CS(=O)(=O)C)S(=O)(=O)NC(C)(C)CC(=O)O

Isomeric SMILES

CC(C)CCN(C(C(CCC1=CC=CC=C1)O)NC(=O)C(C)CS(=O)(=O)C)S(=O)(=O)NC(C)(C)CC(=O)O

InChI

InChI=1S/C25H43N3O8S2/c1-18(2)14-15-28(38(35,36)27-25(4,5)16-22(30)31)23(26-24(32)19(3)17-37(6,33)34)21(29)13-12-20-10-8-7-9-11-20/h7-11,18-19,21,23,27,29H,12-17H2,1-6H3,(H,26,32)(H,30,31)