methyl (2S)-4-methylsulfanyl-2-[[4-[4-(4-nitrophenyl)butanoylamino]phenyl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[4-[4-(4-nitrophenyl)butanoylamino]phenyl]carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[4-[4-(4-nitrophenyl)butanoylamino]benzoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[[4-[[4-(4-nitrophenyl)-1-oxobutyl]amino]phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[4-[4-(4-nitrophenyl)butanoylamino]benzoyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[4-[4-(4-nitrophenyl)butanoylamino]benzoyl]amino]butyric acid methyl ester Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)NC(=O)CCCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)NC(=O)CCCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O6S/c1-32-23(29)20(14-15-33-2)25-22(28)17-8-10-18(11-9-17)24-21(27)5-3-4-16-6-12-19(13-7-16)26(30)31/h6-13,20H,3-5,14-15H2,1-2H3,(H,24,27)(H,25,28)/t20-/m0/s1