methyl (2S)-2-[[(2S)-2-[(2-oxidanyl-3-phenoxy-propyl)amino]-3-phenyl-propanoyl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[(2-oxidanyl-3-phenoxy-propyl)amino]-3-phenyl-propanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[(2-hydroxy-3-phenoxy-propyl)amino]-3-phenyl-propanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-2-[(2-hydroxy-3-phenoxypropyl)amino]-1-oxo-3-phenylpropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[(2-hydroxy-3-phenoxypropyl)amino]-3-phenylpropanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-[(2-hydroxy-3-phenoxy-propyl)amino]-3-phenyl-propanoyl]amino]propionic acid methyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NCC(COC2=CC=CC=C2)O

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)NCC(COC2=CC=CC=C2)O

InChI

InChI=1S/C22H28N2O5/c1-16(22(27)28-2)24-21(26)20(13-17-9-5-3-6-10-17)23-14-18(25)15-29-19-11-7-4-8-12-19/h3-12,16,18,20,23,25H,13-15H2,1-2H3,(H,24,26)/t16-,18?,20-/m0/s1