4-[3-methyl-1-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]butyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[3-methyl-1-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]butyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[1-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-methyl-butyl]thiazole-2-carboxylic acid CAS Name: 4-[3-methyl-1-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]butyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[3-methyl-1-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]butyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[1-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-methyl-butyl]thiazole-2-carboxylic acid Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O5S/c1-14(2)10-17(19-13-32-21(25-19)22(28)29)24-20(27)18(11-15(3)4)26-23(30)31-12-16-8-6-5-7-9-16/h5-9,13-15,17-18H,10-12H2,1-4H3,(H,24,27)(H,26,30)(H,28,29)