methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(phenylmethyl)amino]-3-(phenylmethyl)imino-propanoate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(phenylmethyl)amino]-3-(phenylmethyl)imino-propanoate Openeye Name: methyl 2-(benzylamino)-3-benzylimino-2-(tert-butoxycarbonylamino)propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[(phenylmethyl)amino]-3-(phenylmethyl)iminopropanoic acid methyl ester IUPAC Name: methyl 2-(benzylamino)-3-benzylimino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(benzylamino)-3-benzylimino-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C23H29N3O4 MolecularWeight: 411.49406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C=NCC1=CC=CC=C1)(C(=O)OC)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(C=NCC1=CC=CC=C1)(C(=O)OC)NCC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O4/c1-22(2,3)30-21(28)26-23(20(27)29-4,25-16-19-13-9-6-10-14-19)17-24-15-18-11-7-5-8-12-18/h5-14,17,25H,15-16H2,1-4H3,(H,26,28)