2-[[2-[(2-azaniumyl-4-methyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoate

Systemtic Name: 2-[[2-[(2-azaniumyl-4-methyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoate Openeye Name: 2-[[2-[(2-azaniumyl-4-methyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoate CAS Name: 2-[[2-[(2-ammonio-4-methyl-1-oxopentyl)amino]-3-methyl-1-oxopentyl]amino]-3-hydroxybutanoate IUPAC Name: 2-[[2-[(2-azaniumyl-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]-3-hydroxybutanoate Traditional Name: 2-[[2-[(2-ammonio-4-methyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butyrate Formula: C16H31N3O5 MolecularWeight: 345.43444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)O)C(=O)[O-])NC(=O)C(CC(C)C)[NH3+]

Isomeric SMILES

CCC(C)C(C(=O)NC(C(C)O)C(=O)[O-])NC(=O)C(CC(C)C)[NH3+]

InChI

InChI=1S/C16H31N3O5/c1-6-9(4)12(18-14(21)11(17)7-8(2)3)15(22)19-13(10(5)20)16(23)24/h8-13,20H,6-7,17H2,1-5H3,(H,18,21)(H,19,22)(H,23,24)