methyl (2S)-2-[2-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]ethylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]ethylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[2-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]ethylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]ethylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]ethylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[2-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]amino]ethylamino]-3-phenyl-propionic acid methyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NCCNC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NCCN[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H28N2O4/c1-27-21(25)19(15-17-9-5-3-6-10-17)23-13-14-24-20(22(26)28-2)16-18-11-7-4-8-12-18/h3-12,19-20,23-24H,13-16H2,1-2H3/t19-,20-/m0/s1