ethyl 2-[[(2R)-2-[(2S)-2-benzamido-4-methylsulfanyl-butanoyl]oxybutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[(2R)-2-[(2S)-2-benzamido-4-methylsulfanyl-butanoyl]oxybutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[(2R)-2-[(2S)-2-benzamido-4-methylsulfanyl-butanoyl]oxybutanoyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[(2R)-2-[(2S)-2-benzamido-4-(methylthio)-1-oxobutoxy]-1-oxobutyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2R)-2-[(2S)-2-benzamido-4-methylsulfanylbutanoyl]oxybutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[(2R)-2-[(2S)-2-benzamido-4-(methylthio)butanoyl]oxybutanoyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C23H29N3O6S2 MolecularWeight: 507.62286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)NC1=NC(=C(S1)C(=O)OCC)C)OC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H29N3O6S2/c1-5-17(20(28)26-23-24-14(3)18(34-23)22(30)31-6-2)32-21(29)16(12-13-33-4)25-19(27)15-10-8-7-9-11-15/h7-11,16-17H,5-6,12-13H2,1-4H3,(H,25,27)(H,24,26,28)/t16-,17+/m0/s1