2-[[2-[(2-azanyl-4-methyl-3-oxidanyl-phenyl)carbonylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoic acid chloride

Systemtic Name: 2-[[2-[(2-azanyl-4-methyl-3-oxidanyl-phenyl)carbonylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoic acid chloride Openeye Name: 2-[[2-[(2-amino-3-hydroxy-4-methyl-benzoyl)amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoic acid chloride CAS Name: 2-[[2-[[(2-amino-3-hydroxy-4-methylphenyl)-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methylbutanoic acid chloride IUPAC Name: 2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid chloride Traditional Name: 2-[[2-[(2-amino-3-hydroxy-4-methyl-benzoyl)amino]-3-hydroxy-butanoyl]amino]-3-methyl-butyric acid chloride Formula: C17H25ClN3O6- MolecularWeight: 402.8499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)O)N)O.[Cl-]

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)O)N)O.[Cl-]

InChI

InChI=1S/C17H25N3O6.ClH/c1-7(2)12(17(25)26)19-16(24)13(9(4)21)20-15(23)10-6-5-8(3)14(22)11(10)18;/h5-7,9,12-13,21-22H,18H2,1-4H3,(H,19,24)(H,20,23)(H,25,26);1H/p-1