tert-butyl (3S)-4-[(3-cyanophenyl)methylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: tert-butyl (3S)-4-[(3-cyanophenyl)methylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: tert-butyl (3S)-3-(tert-butoxycarbonylamino)-4-[(3-cyanophenyl)methylamino]butanoate CAS Name: (3S)-4-[(3-cyanophenyl)methylamino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-[(3-cyanophenyl)methylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-4-[(3-cyanobenzyl)amino]butyric acid tert-butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CNCC1=CC=CC(=C1)C#N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](CNCC1=CC=CC(=C1)C#N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O4/c1-20(2,3)27-18(25)11-17(24-19(26)28-21(4,5)6)14-23-13-16-9-7-8-15(10-16)12-22/h7-10,17,23H,11,13-14H2,1-6H3,(H,24,26)/t17-/m0/s1