ethyl 5-[1-azanyl-4-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-3-oxidanylidene-5-phenyl-pentan-2-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 5-[1-azanyl-4-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-3-oxidanylidene-5-phenyl-pentan-2-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 5-[1-(aminomethyl)-3-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-2-oxo-4-phenyl-butyl]thiazole-4-carboxylate CAS Name: 5-[1-amino-4-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-3-oxo-5-phenylpentan-2-yl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[1-amino-4-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-3-oxo-5-phenylpentan-2-yl]-1,3-thiazole-4-carboxylate Traditional Name: 5-[1-(aminomethyl)-3-[(1-carbethoxy-3-phenyl-propyl)amino]-2-keto-4-phenyl-butyl]thiazole-4-carboxylic acid ethyl ester Formula: C29H35N3O5S MolecularWeight: 537.6703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=N1)C(CN)C(=O)C(CC2=CC=CC=C2)NC(CCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC=N1)C(CN)C(=O)C(CC2=CC=CC=C2)NC(CCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C29H35N3O5S/c1-3-36-28(34)23(16-15-20-11-7-5-8-12-20)32-24(17-21-13-9-6-10-14-21)26(33)22(18-30)27-25(31-19-38-27)29(35)37-4-2/h5-14,19,22-24,32H,3-4,15-18,30H2,1-2H3