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

Systemtic Name: 2-[[2-[(2-azaniumyl-3-oxidanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoate Openeye Name: 2-[[2-[(2-azaniumyl-3-hydroxy-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(2-ammonio-3-hydroxy-1-oxobutyl)amino]-4-methyl-1-oxopentyl]amino]-3-methylpentanoate IUPAC Name: 2-[[2-[(2-azaniumyl-3-hydroxybutanoyl)amino]-4-methylpentanoyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[(2-ammonio-3-hydroxy-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-methyl-valerate Formula: C16H31N3O5 MolecularWeight: 345.43444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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