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

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanyl-1-cyano-3-phenyl-propyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-amino-1-cyano-3-phenyl-propyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-amino-1-cyano-3-phenylpropyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-1-cyano-3-phenylpropyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-amino-1-cyano-3-phenyl-propyl]amino]-3-methyl-butyric acid methyl ester Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(C#N)C(CC1=CC=CC=C1)N

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2/c1-11(2)15(16(20)21-3)19-14(10-17)13(18)9-12-7-5-4-6-8-12/h4-8,11,13-15,19H,9,18H2,1-3H3/t13-,14?,15-/m0/s1