(2R)-4-azanyl-2-[[(2R)-2-methyl-2-oxidanyl-4-phenyl-but-3-ynyl]azaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-azanyl-2-[[(2R)-2-methyl-2-oxidanyl-4-phenyl-but-3-ynyl]azaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-amino-2-[[(2R)-2-hydroxy-2-methyl-4-phenyl-but-3-ynyl]ammonio]-4-oxo-butanoate CAS Name: (2R)-4-amino-2-[[(2R)-2-hydroxy-2-methyl-4-phenylbut-3-ynyl]ammonio]-4-oxobutanoate IUPAC Name: (2R)-4-amino-2-[[(2R)-2-hydroxy-2-methyl-4-phenylbut-3-ynyl]azaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-amino-2-[[(2R)-2-hydroxy-2-methyl-4-phenyl-but-3-ynyl]ammonio]-4-keto-butyrate Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]C(CC(=O)N)C(=O)[O-])(C#CC1=CC=CC=C1)O

Isomeric SMILES

C[C@](C[NH2+][C@H](CC(=O)N)C(=O)[O-])(C#CC1=CC=CC=C1)O

InChI

InChI=1S/C15H18N2O4/c1-15(21,8-7-11-5-3-2-4-6-11)10-17-12(14(19)20)9-13(16)18/h2-6,12,17,21H,9-10H2,1H3,(H2,16,18)(H,19,20)/t12-,15-/m1/s1