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

Systemtic Name: ethyl 2-[methyl-[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]-methyl-amino]thiazole-4-carboxylate CAS Name: 2-[methyl-[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[methyl-[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]-methyl-amino]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)N(C)C(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)N(C)C(=O)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O5S/c1-5-28-19(26)17-13-30-20(22-17)24(4)18(25)16(11-14(2)3)23-21(27)29-12-15-9-7-6-8-10-15/h6-10,13-14,16H,5,11-12H2,1-4H3,(H,23,27)/t16-/m0/s1