methyl 4-azanyl-1-[3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 4-azanyl-1-[3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 4-amino-1-[3-[4-[(tert-butoxycarbonylamino)methyl]phenyl]propanoyl]pyrrolidine-2-carboxylate CAS Name: 4-amino-1-[3-[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-1-oxopropyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-1-[3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoyl]pyrrolidine-2-carboxylate Traditional Name: 4-amino-1-[3-[4-[(tert-butoxycarbonylamino)methyl]phenyl]propanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CCC(=O)N2CC(CC2C(=O)OC)N

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CCC(=O)N2CC(CC2C(=O)OC)N

InChI

InChI=1S/C21H31N3O5/c1-21(2,3)29-20(27)23-12-15-7-5-14(6-8-15)9-10-18(25)24-13-16(22)11-17(24)19(26)28-4/h5-8,16-17H,9-13,22H2,1-4H3,(H,23,27)