[(2R)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-phenylanilino)ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [(1R)-2-keto-1-methyl-2-(2-phenylanilino)ethyl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C21H25N3O4S/c1-14(28-20(26)18(12-13-29-2)24-21(22)27)19(25)23-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,23,25)(H3,22,24,27)/t14-,18+/m1/s1