methyl (2S)-2-[[(1S,2S)-2-azanyl-1-cyano-3-phenyl-propyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(1S,2S)-2-azanyl-1-cyano-3-phenyl-propyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(1S,2S)-2-amino-1-cyano-3-phenyl-propyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(1S,2S)-2-amino-1-cyano-3-phenylpropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(1S,2S)-2-amino-1-cyano-3-phenylpropyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(1S,2S)-2-amino-1-cyano-3-phenyl-propyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(C#N)C(CC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)N[C@H](C#N)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C20H23N3O2/c1-25-20(24)18(13-16-10-6-3-7-11-16)23-19(14-21)17(22)12-15-8-4-2-5-9-15/h2-11,17-19,23H,12-13,22H2,1H3/t17-,18-,19+/m0/s1