(2S)-2-[[4-(2-chloroethyloxycarbonylamino)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[4-(2-chloroethyloxycarbonylamino)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[4-(2-chloroethoxycarbonylamino)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[4-[[2-chloroethoxy(oxo)methyl]amino]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[4-(2-chloroethoxycarbonylamino)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[4-(2-chloroethoxycarbonylamino)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)OCCCl)C2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)OCCCl)C2=CC=CC=C2

InChI

InChI=1S/C21H23ClN2O5S/c1-30-12-9-18(20(26)27)24-19(25)16-8-7-15(23-21(28)29-11-10-22)13-17(16)14-5-3-2-4-6-14/h2-8,13,18H,9-12H2,1H3,(H,23,28)(H,24,25)(H,26,27)/t18-/m0/s1