[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] (2S)-2-[(2-chloro-4-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] (2S)-2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C21H22ClN3O6S MolecularWeight: 479.93388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)[C@H](CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H22ClN3O6S/c1-13(19(26)23-14-6-4-3-5-7-14)31-21(28)18(10-11-32-2)24-20(27)16-9-8-15(25(29)30)12-17(16)22/h3-9,12-13,18H,10-11H2,1-2H3,(H,23,26)(H,24,27)/t13-,18+/m1/s1