2-[[2-[(3-azanyl-5-sulfamoyl-2-sulfanyl-pentanoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[2-[(3-azanyl-5-sulfamoyl-2-sulfanyl-pentanoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[(3-amino-5-sulfamoyl-2-sulfanyl-pentanoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[(3-amino-2-mercapto-1-oxo-5-sulfamoylpentyl)amino]-3-methyl-1-oxobutyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[(3-amino-5-sulfamoyl-2-sulfanylpentanoyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[(3-amino-2-mercapto-5-sulfamoyl-pentanoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-valeric acid Formula: C16H32N4O6S2 MolecularWeight: 440.57848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(CCS(=O)(=O)N)N)S

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(CCS(=O)(=O)N)N)S

InChI

InChI=1S/C16H32N4O6S2/c1-5-9(4)12(16(23)24)20-14(21)11(8(2)3)19-15(22)13(27)10(17)6-7-28(18,25)26/h8-13,27H,5-7,17H2,1-4H3,(H,19,22)(H,20,21)(H,23,24)(H2,18,25,26)