(3S)-3-[[(2S)-2-phenoxypropanoyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-phenoxypropanoyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid Openeye Name: (3S)-3-(4-isopropoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]propanoic acid CAS Name: (3S)-3-[[(2S)-1-oxo-2-phenoxypropyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid IUPAC Name: (3S)-3-[[(2S)-2-phenoxypropanoyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid Traditional Name: (3S)-3-(4-isopropoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]propionic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C(C)OC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-14(2)26-18-11-9-16(10-12-18)19(13-20(23)24)22-21(25)15(3)27-17-7-5-4-6-8-17/h4-12,14-15,19H,13H2,1-3H3,(H,22,25)(H,23,24)/t15-,19-/m0/s1