(2S)-5-[(3-cyanophenyl)methylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Systemtic Name: (2S)-5-[(3-cyanophenyl)methylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-5-[(3-cyanophenyl)methylamino]pentanoic acid CAS Name: (2S)-5-[(3-cyanophenyl)methylamino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-5-[(3-cyanophenyl)methylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-[(3-cyanobenzyl)amino]valeric acid Formula: C18H25N3O4 MolecularWeight: 347.4088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCNCC1=CC=CC(=C1)C#N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCNCC1=CC=CC(=C1)C#N)C(=O)O

InChI

InChI=1S/C18H25N3O4/c1-18(2,3)25-17(24)21-15(16(22)23)8-5-9-20-12-14-7-4-6-13(10-14)11-19/h4,6-7,10,15,20H,5,8-9,12H2,1-3H3,(H,21,24)(H,22,23)/t15-/m0/s1