[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] (2R)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] (2R)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] (2R)-2-[(2-chloro-4-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] (2R)-2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C23H26ClN3O6S MolecularWeight: 507.98704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NCCCC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)NCCCC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H26ClN3O6S/c1-34-13-11-20(26-22(29)18-10-9-17(27(31)32)14-19(18)24)23(30)33-15-21(28)25-12-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,14,20H,5,8,11-13,15H2,1H3,(H,25,28)(H,26,29)/t20-/m1/s1