[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] (2S)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [(1R)-1-[(5-methylisoxazol-3-yl)carbamoyl]propyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid [(2R)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid [(1R)-1-[(5-methylisoxazol-3-yl)carbamoyl]propyl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)NC1=NOC(=C1)C)OC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H25N3O5S/c1-4-16(19(25)22-17-12-13(2)28-23-17)27-20(26)15(10-11-29-3)21-18(24)14-8-6-5-7-9-14/h5-9,12,15-16H,4,10-11H2,1-3H3,(H,21,24)(H,22,23,25)/t15-,16+/m0/s1