(phenylmethyl) (4S)-5-[(4-dimethylaminophenyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) (4S)-5-[(4-dimethylaminophenyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate Openeye Name: benzyl (4S)-4-(tert-butoxycarbonylamino)-5-[4-(dimethylamino)anilino]-5-oxo-pentanoate CAS Name: (4S)-5-[4-(dimethylamino)anilino]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-5-[4-(dimethylamino)anilino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate Traditional Name: (4S)-4-(tert-butoxycarbonylamino)-5-[4-(dimethylamino)anilino]-5-keto-valeric acid benzyl ester Formula: C25H33N3O5 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C25H33N3O5/c1-25(2,3)33-24(31)27-21(15-16-22(29)32-17-18-9-7-6-8-10-18)23(30)26-19-11-13-20(14-12-19)28(4)5/h6-14,21H,15-17H2,1-5H3,(H,26,30)(H,27,31)/t21-/m0/s1