(4-nitrophenyl) (2S)-4-methylsulfanyl-2-[[(2R)-4-methylsulfanyl-1-(4-nitrophenoxy)-1-oxidanylidene-butan-2-yl]carbamoylamino]butanoate

Systemtic Name: (4-nitrophenyl) (2S)-4-methylsulfanyl-2-[[(2R)-4-methylsulfanyl-1-(4-nitrophenoxy)-1-oxidanylidene-butan-2-yl]carbamoylamino]butanoate Openeye Name: (4-nitrophenyl) (2S)-4-methylsulfanyl-2-[[(1R)-3-methylsulfanyl-1-(4-nitrophenoxy)carbonyl-propyl]carbamoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[[[(2R)-4-(methylthio)-1-(4-nitrophenoxy)-1-oxobutan-2-yl]amino]-oxomethyl]amino]butanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-4-methylsulfanyl-2-[[(2R)-4-methylsulfanyl-1-(4-nitrophenoxy)-1-oxobutan-2-yl]carbamoylamino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[(1R)-3-(methylthio)-1-(4-nitrophenoxy)carbonyl-propyl]carbamoylamino]butyric acid (4-nitrophenyl) ester Formula: C23H26N4O9S2 MolecularWeight: 566.60394

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)NC(CCSC)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N[C@@H](CCSC)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O9S2/c1-37-13-11-19(21(28)35-17-7-3-15(4-8-17)26(31)32)24-23(30)25-20(12-14-38-2)22(29)36-18-9-5-16(6-10-18)27(33)34/h3-10,19-20H,11-14H2,1-2H3,(H2,24,25,30)/t19-,20+