ethyl 2-[[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CNC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CNC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O5S/c1-4-28-20(26)17-13-30-18(23-17)11-22-19(25)16(10-14(2)3)24-21(27)29-12-15-8-6-5-7-9-15/h5-9,13-14,16H,4,10-12H2,1-3H3,(H,22,25)(H,24,27)