(2S)-2-[[(2S)-2-azaniumylbutanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumylbutanoyl]amino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumylbutanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-1-oxobutyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumylbutanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-ammoniobutanoyl]amino]-3-phenyl-propionate Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-2-10(14)12(16)15-11(13(17)18)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8,14H2,1H3,(H,15,16)(H,17,18)/t10-,11-/m0/s1