(2S)-2-[[(2R,3R)-3-azaniumyl-2-oxidanyl-4-phenyl-butanoyl]amino]pentanoate

Systemtic Name: (2S)-2-[[(2R,3R)-3-azaniumyl-2-oxidanyl-4-phenyl-butanoyl]amino]pentanoate Openeye Name: (2S)-2-[[(2R,3R)-3-azaniumyl-2-hydroxy-4-phenyl-butanoyl]amino]pentanoate CAS Name: (2S)-2-[[(2R,3R)-3-ammonio-2-hydroxy-1-oxo-4-phenylbutyl]amino]pentanoate IUPAC Name: (2S)-2-[[(2R,3R)-3-azaniumyl-2-hydroxy-4-phenylbutanoyl]amino]pentanoate Traditional Name: (2S)-2-[[(2R,3R)-3-ammonio-2-hydroxy-4-phenyl-butanoyl]amino]valerate Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])NC(=O)C(C(CC1=CC=CC=C1)[NH3+])O

Isomeric SMILES

CCC[C@@H](C(=O)[O-])NC(=O)[C@@H]([C@@H](CC1=CC=CC=C1)[NH3+])O

InChI

InChI=1S/C15H22N2O4/c1-2-6-12(15(20)21)17-14(19)13(18)11(16)9-10-7-4-3-5-8-10/h3-5,7-8,11-13,18H,2,6,9,16H2,1H3,(H,17,19)(H,20,21)/t11-,12+,13-/m1/s1