methyl (2S)-2-[[(2S)-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S)-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-1-cyano-3-phenyl-propyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-1-cyano-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-1-cyano-3-phenyl-propyl]amino]-3-methyl-butyric acid methyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4/c1-14(2)18(19(25)27-6)23-17(13-22)16(12-15-10-8-7-9-11-15)24-20(26)28-21(3,4)5/h7-11,14,16-18,23H,12H2,1-6H3,(H,24,26)/t16-,17?,18-/m0/s1