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

Systemtic Name: (2S)-2-[[(2S,3R)-2-azaniumyl-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(2S,3R)-2-azaniumyl-3-hydroxy-butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S,3R)-2-ammonio-3-hydroxy-1-oxobutyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(2S,3R)-2-azaniumyl-3-hydroxybutanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S,3R)-2-ammonio-3-hydroxy-butanoyl]amino]-3-phenyl-propionate Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-8(16)11(14)12(17)15-10(13(18)19)7-9-5-3-2-4-6-9/h2-6,8,10-11,16H,7,14H2,1H3,(H,15,17)(H,18,19)/t8-,10+,11+/m1/s1