(2S)-2-[[(2S)-2-azanyl-3-(4-phenoxyphenyl)propanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-(4-phenoxyphenyl)propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-amino-3-(4-phenoxyphenyl)propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-(4-phenoxyphenyl)propyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(4-phenoxyphenyl)propanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-amino-3-(4-phenoxyphenyl)propanoyl]amino]propionic acid Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)OC2=CC=CC=C2)N

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OC2=CC=CC=C2)N

InChI

InChI=1S/C18H20N2O4/c1-12(18(22)23)20-17(21)16(19)11-13-7-9-15(10-8-13)24-14-5-3-2-4-6-14/h2-10,12,16H,11,19H2,1H3,(H,20,21)(H,22,23)/t12-,16-/m0/s1