methyl (2S)-6-azanyl-2-[[(2S)-2-azanyl-1-cyano-3-phenyl-propyl]amino]hexanoate

Systemtic Name: methyl (2S)-6-azanyl-2-[[(2S)-2-azanyl-1-cyano-3-phenyl-propyl]amino]hexanoate Openeye Name: methyl (2S)-6-amino-2-[[(2S)-2-amino-1-cyano-3-phenyl-propyl]amino]hexanoate CAS Name: (2S)-6-amino-2-[[(2S)-2-amino-1-cyano-3-phenylpropyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-amino-2-[[(2S)-2-amino-1-cyano-3-phenylpropyl]amino]hexanoate Traditional Name: (2S)-6-amino-2-[[(2S)-2-amino-1-cyano-3-phenyl-propyl]amino]hexanoic acid methyl ester Formula: C17H26N4O2 MolecularWeight: 318.41394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H](CCCCN)NC(C#N)[C@H](CC1=CC=CC=C1)N

InChI

InChI=1S/C17H26N4O2/c1-23-17(22)15(9-5-6-10-18)21-16(12-19)14(20)11-13-7-3-2-4-8-13/h2-4,7-8,14-16,21H,5-6,9-11,18,20H2,1H3/t14-,15-,16?/m0/s1