2-[[3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-3-(4-cyanophenyl)propanoyl]-methyl-amino]acetic acid CAS Name: 2-[[3-(4-cyanophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-methylamino]acetic acid IUPAC Name: 2-[[3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-methylamino]acetic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-(4-cyanophenyl)propanoyl]-methyl-amino]acetic acid Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5/c1-18(2,3)26-17(25)20-14(16(24)21(4)11-15(22)23)9-12-5-7-13(10-19)8-6-12/h5-8,14H,9,11H2,1-4H3,(H,20,25)(H,22,23)